SCHEMBL9687760

SCHEMBL9687760

Nc1ccc(Oc2ccc3[nH]c4cnc(C(=O)O)cc4c3c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.53
GABRG2 P18507 13/20 0.53
GABRB3 P28472 13/20 0.53
GABRA3 P34903 13/20 0.53
GABRA2 P47869 13/20 0.53
GABRA5 P31644 12/20 0.53
GABRA6 Q16445 9/20 0.53
GABRA4 P48169 8/20 0.53
GABRP O00591 5/20 0.53
GABRD O14764 5/20 0.53
GABRB1 P18505 5/20 0.53
GABRB2 P47870 5/20 0.53
GABRE P78334 5/20 0.53
GABRG1 Q8N1C3 5/20 0.53
GABRG3 Q99928 5/20 0.53
GABRQ Q9UN88 5/20 0.53
KMT2A Q03164 3/20 0.53
UBE2N P61088 1/20 0.43
KDM4E B2RXH2 6/20 0.43
POLB P06746 2/20 0.43

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 0.88 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9688204 0.84 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9688494 0.83 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9687518 0.81 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11090801 0.81 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9536120 0.81 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9536385 0.79 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1981698 0.78 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9534774 0.75 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3058011 0.73 KMT2A (0.46) KMT2AKDM4EPOLBMEN1ALDH1A1

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 claimed