SCHEMBL454942

SCHEMBL454942

COc1cc(N)c2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
HSP90AA1 P07900 2/20 0.53
HSP90AB1 P08238 2/20 0.53
SLC40A1 Q9NP59 4/20 0.52
NFKBIA P25963 1/20 0.52
RELA Q04206 1/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 3/20 0.50
PLAU P00749 1/20 0.50
ABCB11 O95342 1/20 0.50
ESR1 P03372 1/20 0.50
PGR P06401 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL1143538 0.98 CYP1A2 (0.53) CYP1A2HSP90AA1HSP90AB1SLC40A1NFKBIA
Bromide SCHEMBL27612053 0.97 CYP1A2 (0.52) CYP1A2HSP90AA1HSP90AB1SLC40A1NFKBIA
1-Hexanol SCHEMBL3915452 0.84 IDO1 (0.51) CYP1A2HSP90AA1HSP90AB1SLC40A1NFKBIA
SCHEMBL8439027 0.83 SLC40A1 (0.52) CYP1A2HSP90AA1HSP90AB1SLC40A1KMT2A
SCHEMBL2473645 0.83 KDM4E (0.45) CYP1A2HSP90AA1HSP90AB1SLC40A1NFKBIA
SCHEMBL1556194 0.81 CYP1A2 (0.52) CYP1A2HSP90AA1HSP90AB1SLC40A1KMT2A
SCHEMBL29828916 0.81 CYP1A2 (0.52) CYP1A2HSP90AA1HSP90AB1SLC40A1KMT2A
SCHEMBL13219481 0.81 CYP1A2 (0.52) CYP1A2HSP90AA1HSP90AB1SLC40A1KMT2A
SCHEMBL4810431 0.81 CYP1A2 (0.52) CYP1A2HSP90AA1HSP90AB1SLC40A1KMT2A
SCHEMBL3563100 0.79 KMT2A (0.55) CYP1A2HSP90AA1HSP90AB1SLC40A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 871 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105337-B Quinoline triarylamine and preparation method thereof 湖南大学 2022-12-23 CN claimed
CN-111217747-B Preparation method of pamaquine 济南韶远医药技术有限公司 2022-02-22 CN claimed
CN-112151853-B Battery pole piece with melting recombination characteristic and lithium ion battery comprising same 浙江锋锂新能源科技有限公司 2021-09-07 CN claimed
CN-113248431-A Preparation method of primaquine phosphate 重庆医药高等专科学校 2021-08-13 CN claimed
CN-112279842-A Andrographolide derivative with platelet aggregation resisting activity and preparation method thereof 谢天龙 2021-01-29 CN claimed
CN-112151853-A Battery pole piece with melting recombination characteristic and lithium ion battery comprising same 浙江锋锂新能源科技有限公司 2020-12-29 CN claimed
CN-111217747-A Preparation method of pamaquine 济南韶远医药技术有限公司 2020-06-02 CN claimed
CN-110105337-A A kind of quinolines triarylamine and preparation method thereof 湖南大学 2019-08-09 CN claimed
EP-2182914-B1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'ORÉAL (FR) 2017-11-08 EP claimed
EP-3096735-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME Combe International Ltd. (US) 2016-11-30 EP claimed
EP-0728466-B1 Keratinous fibers oxidation dyeing composition comprising an oxidation base, an indolic coupler and an additional heterocyclic coupler and dyeing process OREAL (FR) 2000-06-14 EP claimed
US-6074438-A AN OXIDATIVE HAIR DYE MIXTURE COMPRISING PRIMARY INTERMEDIATE AND A COUPLER FORMING AN OXIDATIVE HAIR DYE IN THE PRESENCE OF AN OXIDIZING AGENT BRISTOL-MYERS SQUIBB CO. (US) 2000-06-13 US claimed
WO-1999051228-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 1999-10-14 WO claimed
WO-1999032068-A2 NEW DEVELOPER COMBINATIONS FOR OXIDATION COLOURING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-07-01 WO claimed
US-5785717-A Composition for the oxidation dyeing of keratin fibers, comprising a diaminopyrazole derivative and a heterocyclic coupler, and dyeing process L'OREAL (FR) 1998-07-28 US claimed
US-5769903-A Composition for the oxidation dyeing of keratin fibers, comprising an oxidation base, an indole coupler and an additional heterocyclic coupler, and dyeing process L'OREAL (FR) 1998-06-23 US claimed
EP-0728464-B1 Composition for dyeing keratinous fibers comprising a diaminopyrazole derivative and a heterocyclic coupleur and dyeing process OREAL (FR) 1997-07-30 EP claimed
CN-1137374-A Composition for oxidation dyeing of keratin fibers, comprising oxidation base, indole coupler and additional heterocyclic coupler, and dyeing process OREAL (FR) 1996-12-11 CN claimed
EP-0728464-A1 Composition for dyeing keratinous fibers comprising a diaminopyrazole derivative and a heterocyclic coupleur and dyeing process L'OREAL (FR) 1996-08-28 EP claimed
EP-0728466-A1 Keratinous fibers oxidation dyeing composition comprising an oxidation base, an indolic coupler and an additional heterocyclic coupler and dyeing process L'OREAL (FR) 1996-08-28 EP claimed