SCHEMBL9534774

SCHEMBL9534774

O=C(O)c1cc2c(cn1)[nH]c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.53
GABRG2 P18507 9/20 0.53
GABRB3 P28472 9/20 0.53
GABRA5 P31644 9/20 0.53
GABRA2 P47869 9/20 0.53
GABRA3 P34903 8/20 0.53
GABRA4 P48169 6/20 0.53
GABRA6 Q16445 6/20 0.53
GABRP O00591 4/20 0.53
GABRD O14764 4/20 0.53
GABRB1 P18505 4/20 0.53
GABRB2 P47870 4/20 0.53
GABRE P78334 4/20 0.53
GABRG1 Q8N1C3 4/20 0.53
GABRG3 Q99928 4/20 0.53
GABRQ Q9UN88 4/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
CHEK2 O96017 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
SCHEMBL9688494 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL10388941 0.88 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL27981607 0.87 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9536120 0.86 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL10389541 0.85 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9534778 0.84 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9536385 0.83 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9535159 0.82 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9537490 0.80 ALDH1A1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9536896 0.80 GABRA1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234173-B1 PHENOXY-SUBSTITUTED BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed
US-4945090-A ANXIOLYTIC AGENTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 US disclosed
EP-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 EP disclosed