SCHEMBL9687518

SCHEMBL9687518

COC(=O)Oc1cc2c(cn1)[nH]c1ccc(Oc3ccc(N)cn3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
BRCA1 P38398 1/20 0.44
HBB P68871 1/20 0.44
POLB P06746 2/20 0.43
GABRA1 P14867 10/20 0.41
GABRG2 P18507 10/20 0.41
GABRB3 P28472 10/20 0.41
GABRA5 P31644 10/20 0.41
GABRA3 P34903 10/20 0.41
GABRA2 P47869 9/20 0.41
GABRP O00591 7/20 0.41
GABRD O14764 7/20 0.41
GABRB1 P18505 7/20 0.41
GABRB2 P47870 7/20 0.41
GABRA4 P48169 7/20 0.41
GABRE P78334 7/20 0.41

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
SCHEMBL9688147 0.85 GABRA1 (0.60) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL9689016 0.85 FPR2 (0.41) KDM4EALDH1A1HSD17B10GABRA1GABRG2
SCHEMBL9689425 0.84 HSPB1 (0.46) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL9687760 0.81 GABRA1 (0.53) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL9536896 0.79 GABRA1 (0.46) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL9687542 0.78 GABRA1 (0.64) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL9018039 0.77 KDM4E (0.44) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7502529 0.74 GABRA1 (0.49) KDM4EMEN1KMT2AALDH1A1GABRA1
SCHEMBL9534278 0.72 GABRA1 (0.54) KDM4EMEN1KMT2AALDH1A1GABRA1
SCHEMBL9536124 0.71 GABRA1 (0.46) KDM4EKMT2AALDH1A1HSD17B10GABRA1

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
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP claimed
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed