SCHEMBL7980241

SCHEMBL7980241

O=c1[nH]c2ccc(F)cc2n2cncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.46
KDM4E B2RXH2 1/20 0.46
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
GABRA5 P31644 3/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37

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
SCHEMBL29235466 0.82 TP53 (0.46) GABRA5GABRA1LCKCHUKPARP1
SCHEMBL2468642 0.82 DAO (0.46) DAOGABRA5GABRPGABRDGABRA1
SCHEMBL7982949 0.82 GABRA5 (0.36) DAOGABRA5GABRA1PARP1
SCHEMBL29235602 0.78 PARP1 (0.45) KDM4EPARP1
SCHEMBL7983014 0.78 GABRA5 (0.46) KDM4EGABRA5GABRA1ACHELCK
SCHEMBL30095396 0.78 PARP1 (0.59) DAOKDM4EGABRA5GABRA1PARP1
SCHEMBL4763948 0.78 PARP1 (0.59) DAOKDM4EGABRA5GABRA1PARP1
SCHEMBL11997319 0.77 IDO1 (0.40) GABRA5GABRA1PARP1
SCHEMBL7969955 0.77 GRIA1 (0.51) GABRA5GABRA1GABRG2GABRB3GABRA2
SCHEMBL31026839 0.77 TP53 (0.35) DAOGABRA5GABRA1

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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed