SCHEMBL4444783

SCHEMBL4444783

Nc1ccc2c(c1)C(=O)c1cccc(N)c1C2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.72
ALDH1A1 P00352 8/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
MAPK1 P28482 5/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
TDP1 Q9NUW8 4/20 0.69
CYP3A4 P08684 3/20 0.69
TSHR P16473 2/20 0.69
TP53 P04637 1/20 0.69
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
POLB P06746 6/20 0.61
PTPRC P08575 3/20 0.61
LMNA P02545 3/20 0.61
HPGD P15428 3/20 0.61
BLM P54132 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
HTT P42858 2/20 0.61
ALOX12 P18054 2/20 0.61

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
SCHEMBL30377911 1.00 ADORA2A (0.72) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL29361856 1.00 ADORA2A (0.72) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL8773084 1.00 ADORA2A (0.72) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL7225540 0.91 ALDH1A1 (0.66) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1
Hydrochloric Acid SCHEMBL27414025 0.89 ALDH1A1 (0.63) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL28314104 0.88 MAOA (0.67) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL28314083 0.88 MAOA (0.67) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL6945771 0.87 PTPRC (0.69) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL1557667 0.85 ADORA2A (1.00) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL29701006 0.85 ADORA2A (1.00) ADORA2AALDH1A1SMN1; SMN2MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113973840-B Amino anthraquinone sensitized molybdenum disulfide composite photocatalytic antibacterial material and preparation method thereof 安徽大学 2022-09-13 CN claimed
CN-113973840-A Amino anthraquinone sensitized molybdenum disulfide composite photocatalytic antibacterial material and preparation method thereof 安徽大学 2022-01-28 CN claimed
EP-0430434-B1 Process for the preparation of fluoroaromatic and fluoroheteroaromatic compounds ZENECA LTD (GB) 1994-09-14 EP claimed
EP-0430434-A2 Process for the preparation of fluoroaromatic and fluoroheteroaromatic compounds ZENECA LIMITED (GB) 1991-06-05 EP claimed
JP-56076458-A None JP disclosed
CN-113973840-B Amino anthraquinone sensitized molybdenum disulfide composite photocatalytic antibacterial material and preparation method thereof 安徽大学 2022-09-13 CN disclosed
CN-113973840-A Amino anthraquinone sensitized molybdenum disulfide composite photocatalytic antibacterial material and preparation method thereof 安徽大学 2022-01-28 CN disclosed
CN-109599577-B Water phase system organic flow battery system based on salt cavern 中盐金坛盐化有限责任公司 2021-03-02 CN disclosed
US-10801477-B2 Actuator element including fat and oil or water repellent NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-10-13 US disclosed
CN-109599577-A The organic flow battery system of aqueous phase system based on salt cave 中盐金坛盐化有限责任公司 2019-04-09 CN disclosed
US-20150118500-A1 ACTUATOR ELEMENT INCLUDING FAT AND OIL OR WATER REPELLENT NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-04-30 US disclosed
US-8951641-B2 Actuator element including fat and oil or water repellent NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-02-10 US disclosed
EP-0057381-A2 Trisanthraquinonylaminotriazine compounds as well as their preparation and application as vat dyes BAYER AG (DE) 1982-08-11 EP disclosed
US-4329456-A ACYLATION WITHOUT INTERMEDIATE ISOLATION CIBA-GEIGY AG (CH) 1982-05-11 US disclosed
JP-S5676458-A PRODUCTION OF AZO DYE MITSUI TOATSU CHEM INC 1981-06-24 JP disclosed
US-4265633-A Process for the manufacture of vat dyes CIBA-GEIGY AG (CH) 1981-05-05 US disclosed
EP-0025166-A1 Process for preparing vat dyestuffs of the anthraquinone series, their use in dyeing and printing preparations and in dyeing and printing CIBA-GEIGY AG (CH) 1981-03-18 EP disclosed
EP-0019285-A1 Process for preparing asymmetrical vat dyestuffs of the anthraquinone series and their use in dyeing and printing CIBA-GEIGY AG (CH) 1980-11-26 EP disclosed
US-4213909-A Process for the preparation of 1-amino-4-bromoanthraquinone-2-sulfonic acid II BAYER AKTIENGESELLSCHAFT (DE) 1980-07-22 US disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed