Sugi Predict

Sugi Predict / Compounds / SCHEMBL4035988

SCHEMBL4035988

SCHEMBL4035988

Cn1c(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 17/20 0.47
▸ HSD17B2 P37059 2/20 0.46
▸ PIK3CD O00329 1/20 0.44

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
SCHEMBL1035744 0.89 CCR9 (0.47) CCR9HSD17B2PIK3CD
SCHEMBL1037648 0.79 HSD17B2 (0.50) CCR9HSD17B2PIK3CD
SCHEMBL1033740 0.79 ALDH1A1 (0.47) CCR9HSD17B2PIK3CD
SCHEMBL1036879 0.77 HSD17B2 (0.49) CCR9HSD17B2PIK3CD
SCHEMBL1038886 0.76 HSD17B2 (0.47) CCR9HSD17B2PIK3CD
SCHEMBL10223690 0.76 CCR9 (0.52) CCR9HSD17B2PIK3CD
SCHEMBL10305654 0.76 HSD17B2 (0.61) CCR9HSD17B2PIK3CD
SCHEMBL2978871 0.76 CCR9 (0.48) CCR9HSD17B2PIK3CD
SCHEMBL1035802 0.75 CCR9 (0.44) CCR9HSD17B2PIK3CD
SCHEMBL1033742 0.74 CCR9 (0.50) CCR9HSD17B2PIK3CD

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-2049515-A2 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS ChemoCentryx Inc (US) 2009-04-22 — — EP disclosed
WO-2008008375-A2 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2008-01-17 — — WO disclosed