SCHEMBL9601636

SCHEMBL9601636

c1ccc2c(-c3ccncn3)c3ccccc3nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
RAF1 P04049 1/20 0.44
MAPK9 P45984 1/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAOA P21397 2/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL29660651 1.00 CYP3A4 (0.49) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL321429 0.78 METAP1 (0.58) ALDH1A1SMN1; SMN2KDM4EMAOAGLA
SCHEMBL29488283 0.78 METAP1 (0.58) ALDH1A1SMN1; SMN2KDM4EMAOAGLA
SCHEMBL1102679 0.77 MAOA (0.40) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL1103296 0.76 CDK4 (0.38) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL4501473 0.76 NCF1 (0.50) CYP3A4ALDH1A1SMN1; SMN2KDM4EMAOA
SCHEMBL29660606 0.76 METAP2 (0.54) CYP3A4ALDH1A1SMN1; SMN2KDM4EMAOA
SCHEMBL321962 0.76 METAP2 (0.54) CYP3A4ALDH1A1SMN1; SMN2KDM4EMAOA
SCHEMBL30494504 0.75 MEN1 (0.51) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL28632966 0.75 MEN1 (0.51) CYP3A4MAPK13MAPK12MAPK11MAPK14

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 10 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
EP-3339331-B1 COMPOSITION ADEKA CORP (JP) 2022-02-16 EP 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
WO-2020021969-A1 COMPOSITION, CURED PRODUCT, OPTICAL FILTER, AND PRODUCTION METHOD FOR CURED PRODUCT 株式会社ADEKA 2020-01-30 WO 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