SCHEMBL1073256

SCHEMBL1073256

Cc1cccc(C(=O)c2cn(Cc3cccc(Br)n3)c3ccc(F)cc3c2=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.61
CNR2 P34972 4/20 0.46
THRB P10828 1/20 0.44
MAPT P10636 7/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 4/20 0.42
CNR1 P21554 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 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
SCHEMBL1074542 0.88 ACKR3 (0.74) ACKR3CNR2TP53SMN1; SMN2POLB
SCHEMBL1074343 0.87 ACKR3 (0.80) ACKR3THRBMAPTRXFP1GAA
SCHEMBL1549505 0.86 ACKR3 (0.64) ACKR3CNR2THRBMAPTRXFP1
SCHEMBL1074507 0.82 ACKR3 (0.77) ACKR3CNR2TP53SMN1; SMN2POLB
SCHEMBL1073605 0.80 ACKR3 (0.80) ACKR3CNR2THRBMAPTRXFP1
SCHEMBL3376866 0.77 ACKR3 (0.84) ACKR3CNR2MAPTTP53SMN1; SMN2
SCHEMBL1072793 0.77 ACKR3 (0.78) ACKR3MAPTGAATP53SMN1; SMN2
SCHEMBL1549473 0.77 ACKR3 (0.78) ACKR3CNR2MAPTTP53SMN1; SMN2
SCHEMBL1075524 0.77 ACKR3 (0.78) ACKR3CNR2MAPTTP53SMN1; SMN2
SCHEMBL1074655 0.76 ACKR3 (0.51) ACKR3CNR2THRBMAPTRXFP1

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-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 EP disclosed
EP-1954274-A4 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-01-07 EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 EP disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed