SCHEMBL9688766

SCHEMBL9688766

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.46
GABRG2 P18507 5/20 0.46
GABRB3 P28472 5/20 0.46
GABRA5 P31644 5/20 0.46
GABRA2 P47869 5/20 0.46
KMT2A Q03164 4/20 0.46
GABRP O00591 4/20 0.46
GABRD O14764 4/20 0.46
GABRB1 P18505 4/20 0.46
GABRA3 P34903 4/20 0.46
GABRB2 P47870 4/20 0.46
GABRA4 P48169 4/20 0.46
GABRE P78334 4/20 0.46
GABRA6 Q16445 4/20 0.46
GABRG1 Q8N1C3 4/20 0.46
GABRG3 Q99928 4/20 0.46
GABRQ Q9UN88 4/20 0.46
HSPB1 P04792 2/20 0.45
MAPT P10636 9/20 0.39
LMNA P02545 5/20 0.39

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
SCHEMBL9535159 0.88 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9688243 0.87 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9689073 0.82 MAPT (0.43) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9688494 0.81 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9688522 0.79 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9535165 0.78 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL10390448 0.76 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9688097 0.75 MAPT (0.38) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL27981607 0.74 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9535825 0.72 KMT2A (0.39) GABRA1GABRG2GABRB3GABRA5GABRA2

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