SCHEMBL9838965

SCHEMBL9838965

O=C(O)c1cc2c(cn1)[nH]c1ccc(CC3(O)C=CC=CC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.49
GABRG2 P18507 16/20 0.49
GABRB3 P28472 16/20 0.49
GABRA3 P34903 16/20 0.49
GABRA2 P47869 16/20 0.49
GABRA5 P31644 15/20 0.49
GABRA6 Q16445 12/20 0.49
GABRA4 P48169 10/20 0.49
GABRP O00591 6/20 0.49
GABRD O14764 6/20 0.49
GABRB1 P18505 6/20 0.49
GABRB2 P47870 6/20 0.49
GABRE P78334 6/20 0.49
GABRG1 Q8N1C3 6/20 0.49
GABRG3 Q99928 6/20 0.49
GABRQ Q9UN88 6/20 0.49
KMT2A Q03164 2/20 0.49
UBE2N P61088 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL10634264 0.86 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10628385 0.73 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8133221 0.71 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28681014 0.69 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL10377012 0.69 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15486194 0.68 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11090801 0.68 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1180278 0.67 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29381558 0.67 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30302588 0.67 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0222693-B1 3-OXADIAZOLYL AND 3-CARBOXYLIC-ACID BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-17 EP disclosed
US-4778800-A ANXIOLYTIC, ANTICONVULSANT SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed