SCHEMBL3639403

SCHEMBL3639403

CC(O)(I)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2nnc3ncccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 18/20 0.48
UQCRB P14927 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL2966396 0.93 CCR9 (0.49) CCR9UQCRBHSD17B2
SCHEMBL2966378 0.93 CCR9 (0.49) CCR9UQCRBHSD17B2
SCHEMBL2966395 0.92 CCR9 (0.49) CCR9UQCRBHSD17B2
SCHEMBL2969190 0.91 CCR9 (0.58) CCR9UQCRBHSD17B2
SCHEMBL2968105 0.90 CCR9 (0.47) CCR9UQCRBHSD17B2
SCHEMBL2979993 0.90 CCR9 (0.47) CCR9UQCRBHSD17B2
SCHEMBL15911907 0.90 CCR9 (0.49) CCR9UQCRB
SCHEMBL2966415 0.89 CCR9 (0.49) CCR9UQCRB
SCHEMBL2973006 0.88 CCR9 (0.48) CCR9
SCHEMBL2966293 0.88 CCR9 (0.48) CCR9UQCRB

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-2170823-A1 N-(2-(HETARYL)ARYL)ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL)ARYLSULFONAMIDES ChemoCentryx Inc (US) 2010-04-07 EP disclosed
WO-2009038847-A1 N-(2-(HETARYL)ARYL)ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL)ARYLSULFONAMIDES CHEMOCENTRYX, INC. (US) 2009-03-26 WO disclosed