SCHEMBL4781045

SCHEMBL4781045

COc1cccc(F)c1C(=O)c1ncc(Cl)cc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.40
PTGES2 Q9H7Z7 3/20 0.39
SCN9A Q15858 3/20 0.39
RORC P51449 2/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
CHRNA7 P36544 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
POLB P06746 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAP2 P11137 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4797330 0.90 SCN9A (0.41) CCR2PTGES2SCN9ARORCCHRNA7
SCHEMBL4780578 0.85 LMNA (0.42) PTGES2RORCCHRNA7CA1CA2
SCHEMBL3218274 0.79 CSF1R (0.43) CCR2RORCPOLBMAP2
SCHEMBL305125 0.79 POLB (0.44) CCR2RORCCDK1CDK4CCND1
SCHEMBL305288 0.78 CCR2 (0.51) CCR2PTGES2POLBKDM4EMAPT
SCHEMBL29888324 0.78 CCR2 (0.51) CCR2PTGES2POLBKDM4EMAPT
SCHEMBL3197579 0.75 CSF1R (0.40) CCR2RORCCDK1CDK4CCND1
SCHEMBL15211939 0.73 PTGES2 (0.45) PTGES2SCN9AALOX5APFEN1CA12
SCHEMBL29888562 0.72 CCR2 (0.69) CCR2MAPT
SCHEMBL306221 0.72 CCR2 (0.69) CCR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed