SCHEMBL9688243

SCHEMBL9688243

CCOC(=O)c1cc2c(cn1)[nH]c1cccc(Oc3ccc([N+](=O)[O-])cn3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.53
GABRG2 P18507 10/20 0.53
GABRB3 P28472 10/20 0.53
GABRA5 P31644 10/20 0.53
GABRA3 P34903 10/20 0.53
GABRA2 P47869 10/20 0.53
GABRA4 P48169 8/20 0.53
GABRA6 Q16445 8/20 0.53
MAPT P10636 6/20 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
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53

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
SCHEMBL10390448 0.89 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689073 0.88 MAPT (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688766 0.87 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380697 0.81 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688680 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688731 0.80 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389683 0.80 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7374280 0.80 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535825 0.79 KMT2A (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10375058 0.78 GABRA1 (0.65) 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 3 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
US-4877792-A ANXIOLYTIC AGENTS; ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-31 US claimed
US-4877792-A ANXIOLYTIC AGENTS; ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed