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Sugi Predict / Compounds / SCHEMBL4793290

SCHEMBL4793290

SCHEMBL4793290

Cc1cc(S(=O)(=O)n2cc(C=O)cc2-c2ccccc2)cnc1Cl.Cc1cc(S(=O)(=O)n2cc(CN(CC(C)(C)C)C(=O)O)cc2-c2ccccc2)cnc1Cl

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.32
▸ PDK1 Q15118 6/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1156667 0.94 CHRM1 (0.35) CHRM1PDK1PDK2PDK3PDK4
SCHEMBL1157027 0.83 CHRM1 (0.35) CHRM1L3MBTL1
SCHEMBL1156604 0.82 ALDH1A1 (0.43) L3MBTL1
SCHEMBL1156943 0.81 CHRM1 (0.37) CHRM1PDK1PDK2PDK3PDK4
SCHEMBL1156677 0.79 ACLY (0.37) L3MBTL1
SCHEMBL1156666 0.78 HTR2C (0.39) CHRM1PDK1
SCHEMBL1278553 0.77 L3MBTL1 (0.35) L3MBTL1
SCHEMBL2412381 0.75 CHRM5 (0.37) L3MBTL1
SCHEMBL1156945 0.74 TAAR1 (0.39) CHRM1
SCHEMBL1156663 0.74 POLB (0.34) CHRM1

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-1919865-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-05-14 — — EP disclosed
WO-2007026916-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 — — WO disclosed