SCHEMBL13726581

SCHEMBL13726581

O=c1c(-c2cccc(F)c2)c(CCBr)oc2cccc(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
GABRP O00591 4/20 0.39
GABRD O14764 4/20 0.39
GABRA1 P14867 4/20 0.39
GABRB1 P18505 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRB2 P47870 4/20 0.39
GABRA4 P48169 4/20 0.39
GABRE P78334 4/20 0.39
GABRA6 Q16445 4/20 0.39
GABRG1 Q8N1C3 4/20 0.39
GABRG3 Q99928 4/20 0.39
GABRQ Q9UN88 4/20 0.39
NOTUM Q6P988 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
HTR2B P41595 1/20 0.33

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
SCHEMBL13726065 0.93 AR (0.39) ARGABRPGABRDGABRA1GABRB1
SCHEMBL13718464 0.90 AR (0.42) ARGABRPGABRDGABRA1GABRB1
SCHEMBL13726909 0.89 TAAR1 (0.43) ARGABRPGABRDGABRA1GABRB1
SCHEMBL13726276 0.88 AR (0.46) AR
SCHEMBL13717494 0.88 AR (0.40) ARGABRPGABRDGABRA1GABRB1
SCHEMBL13726082 0.88 AR (0.40) ARGABRPGABRDGABRA1GABRB1
SCHEMBL13726158 0.87 AR (0.47) ARGABRPGABRDGABRA1GABRB1
SCHEMBL8472 0.85 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23425394 0.85 AR (0.42) ARGABRPGABRDGABRA1GABRB1
SCHEMBL13725657 0.85 AR (0.42) ARGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705029-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES Rhizen Pharmaceuticals S.A. (CH) 2014-03-12 EP disclosed
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 WO disclosed