SCHEMBL9687542

SCHEMBL9687542

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.64
GABRG2 P18507 13/20 0.64
GABRB3 P28472 13/20 0.64
GABRA5 P31644 13/20 0.64
GABRA3 P34903 13/20 0.64
GABRP O00591 12/20 0.64
GABRD O14764 12/20 0.64
GABRB1 P18505 12/20 0.64
GABRA2 P47869 12/20 0.64
GABRB2 P47870 12/20 0.64
GABRA4 P48169 12/20 0.64
GABRE P78334 12/20 0.64
GABRA6 Q16445 12/20 0.64
GABRG1 Q8N1C3 12/20 0.64
GABRG3 Q99928 12/20 0.64
GABRQ Q9UN88 12/20 0.64
UBE2N P61088 1/20 0.64
KDM4E B2RXH2 1/20 0.46
PDE5A O76074 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL10405046 0.78 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9687518 0.78 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536896 0.77 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689016 0.76 FPR2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689425 0.75 HSPB1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9836444 0.74 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839859 0.73 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8871379 0.73 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7502529 0.73 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839115 0.73 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3

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 1 patent. 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 disclosed