SCHEMBL8325

SCHEMBL8325

O=c1c(-c2ccccc2)[c]oc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 6/20 0.49
GABRD O14764 6/20 0.49
GABRA1 P14867 6/20 0.49
GABRB1 P18505 6/20 0.49
GABRG2 P18507 6/20 0.49
GABRB3 P28472 6/20 0.49
GABRA5 P31644 6/20 0.49
GABRA3 P34903 6/20 0.49
GABRA2 P47869 6/20 0.49
GABRB2 P47870 6/20 0.49
GABRA4 P48169 6/20 0.49
GABRE P78334 6/20 0.49
GABRA6 Q16445 6/20 0.49
GABRG1 Q8N1C3 6/20 0.49
GABRG3 Q99928 6/20 0.49
GABRQ Q9UN88 6/20 0.49
MAPT P10636 4/20 0.41
TSHR P16473 2/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 3/20 0.40

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
SCHEMBL4572496 0.72 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27839334 0.71 SMN1; SMN2 (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15199419 0.70 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4572443 0.70 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2958656 0.69 CA1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8860 0.69 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25625944 0.69 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1534555 0.69 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4458452 0.68 ADORA3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21468268 0.68 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812013-A Novel Benzopyran Kinase Modulators INCOZEN THERAPEUTICS PVT LTD 2012-12-05 CN claimed
CN-102812013-A Novel Benzopyran Kinase Modulators INCOZEN THERAPEUTICS PVT LTD 2012-12-05 CN disclosed
EP-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed