SCHEMBL8656

SCHEMBL8656

NCCc1oc2ccc(Br)cc2c(=O)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 7/20 0.49
GABRD O14764 7/20 0.49
GABRA1 P14867 7/20 0.49
GABRB1 P18505 7/20 0.49
GABRG2 P18507 7/20 0.49
GABRB3 P28472 7/20 0.49
GABRA5 P31644 7/20 0.49
GABRA3 P34903 7/20 0.49
GABRA2 P47869 7/20 0.49
GABRB2 P47870 7/20 0.49
GABRA4 P48169 7/20 0.49
GABRE P78334 7/20 0.49
GABRA6 Q16445 7/20 0.49
GABRG1 Q8N1C3 7/20 0.49
GABRG3 Q99928 7/20 0.49
GABRQ Q9UN88 7/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAPT P10636 5/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL8599 0.90 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30694901 0.90 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9138 0.87 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16619367 0.86 TNKS (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8257 0.85 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8459 0.84 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1781414 0.79 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8860 0.77 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8381 0.76 ALDH1A1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8168 0.76 GABRP (0.52) 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
EP-2844647-A1 PROCESS FOR PREPARATION OF OPTICALLY PURE AND OPTIONALLY SUBSTITUTED 2- (1 -HYDROXY- ALKYL) - CHROMEN - 4 - ONE DERIVATIVES AND THEIR USE IN PREPARING PHARMACEUTICALS Rhizen Pharmaceuticals S.A. (CH) 2015-03-11 EP disclosed
WO-2013164801-A1 PROCESS FOR PREPARATION OF OPTICALLY PURE AND OPTIONALLY SUBSTITUTED 2- (1 -HYDROXY- ALKYL) - CHROMEN - 4 - ONE DERIVATIVES AND THEIR USE IN PREPARING PHARMACEUTICALS RHIZEN PHARMACEUTICALS SA (CH) 2013-11-07 WO 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