SCHEMBL19791003

SCHEMBL19791003

C1=CC2Nc3cc4c(cc3C2C=C1)[nH]c1ccccc14

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.47
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GPR3 P46089 1/20 0.40
KIF11 P52732 12/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21368445 0.80 AHR (0.36) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17231621 0.79 AHR (0.35) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL13412810 0.76 KIF11 (0.41) AHRALDH1A1HSD17B10KIF11KDM4E
SCHEMBL12360658 0.74 GAA (0.44) AHRALDH1A1KDM4EATMMEN1
SCHEMBL21863161 0.73 MAOA (0.31) MAPT
SCHEMBL10112542 0.71 GABRP (0.41) AHRALDH1A1HSD17B10GPR3KDM4E
SCHEMBL10060775 0.71 KIF11 (0.41) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL12523037 0.71 IMPDH2 (0.41) AHRALDH1A1HSD17B10GPR3KDM4E
SCHEMBL12811115 0.71 KIF11 (0.41) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL20922241 0.70 AHR (0.46) AHRALDH1A1HSD17B10GPR3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021066623-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-04-08 WO disclosed
EP-2492987-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-01-24 EP disclosed