SCHEMBL9602877

SCHEMBL9602877

CCc1ccc2nc3ccccc3c(-c3ccccn3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
MEN1 O00255 4/20 0.44
AGTR1 P30556 1/20 0.44
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
METAP1 P53582 4/20 0.42
PDE5A O76074 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
JAK2 O60674 1/20 0.40
PPP1CA P62136 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29660816 1.00 KMT2A (0.44) KMT2ANPC1RAB9AMEN1AGTR1
SCHEMBL321429 0.81 METAP1 (0.58) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL29488283 0.81 METAP1 (0.58) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL29660711 0.81 ALDH1A1 (0.52) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL9601589 0.81 ALDH1A1 (0.52) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL17066136 0.74 ALDH1A1 (0.60) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL13243235 0.73 CYP3A4 (0.53) RAB9AMETAP1ALDH1A1TDP1DHODH
SCHEMBL29488280 0.72 ESR1 (0.51) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL601192 0.72 ESR1 (0.51) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL10906078 0.71 ESR1 (0.51) KMT2AMEN1LMNAHPGDSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110114376-B Curable composition, method for producing cured product, cured product thereof, and adhesive using same 株式会社ADEKA 2022-06-14 CN disclosed
CN-108419438-B Coloring composition 株式会社艾迪科 2021-10-01 CN disclosed
CN-112154167-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-12-29 CN disclosed
CN-111566173-A Coating composition, method for curing the composition, barrier film, and method for producing cured product 株式会社艾迪科 2020-08-21 CN disclosed
EP-3339331-A1 COMPOSITION Adeka Corporation (JP) 2018-06-27 EP disclosed
EP-0305545-B1 SUBSTITUTED ACRIDINE DERIVATIVES AND THEIR USE Hitachi Chemical Co., Ltd. (JP) 1993-02-10 EP disclosed
US-5045433-A Photopolymerization initiators HITACHI CHEMICAL CO., LTD. (JP) 1991-09-03 US disclosed
EP-0305545-A1 SUBSTITUTED ACRIDINE DERIVATIVES AND THEIR USE Hitachi Chemical Co., Ltd. (JP) 1989-03-08 EP disclosed