SCHEMBL12724

SCHEMBL12724

O=c1c(-c2ccc(F)cc2)c(CCBr)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.53
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
TNKS O95271 1/20 0.47
PARP1 P09874 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
GABRQ Q9UN88 1/20 0.47

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
SCHEMBL9012 0.92 MAPK14 (0.51) MAPK14GABRPGABRDTNKSPARP1
SCHEMBL9311 0.90 CA1 (0.56) MAPK14GABRPGABRDTNKSPARP1
SCHEMBL8102 0.89 MAPK14 (0.42) MAPK14GABRPGABRDTNKSPARP1
SCHEMBL8435 0.89 MAPK14 (0.56) MAPK14GABRPGABRDTNKSPARP1
SCHEMBL8472 0.87 GABRP (0.50) MAPK14GABRPGABRDTNKSPARP1
SCHEMBL10716 0.86 MAPK14 (0.53) MAPK14GABRPGABRDTNKSPARP1
SCHEMBL13726158 0.84 AR (0.47) MAPK14GABRPGABRDTNKSPARP1
SCHEMBL8648 0.84 TNKS (0.50) GABRPGABRDTNKSGABRA1GABRB1
SCHEMBL8502 0.83 MAPK14 (0.56) MAPK14GABRPGABRDTNKSPARP1
SCHEMBL9595 0.82 CA1 (0.54) MAPK14GABRPGABRDTNKSPARP1

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-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