SCHEMBL30201842

SCHEMBL30201842

O=S(=O)(c1ccc(-c2ccc3c(c2)CNC3)cc1)N1CC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H](O)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 17/20 0.56
▸ CCNK O75909 1/20 0.53
▸ CCNA2 P20248 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ CDK12 Q9NYV4 1/20 0.53
▸ CCR7 P32248 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39

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
SCHEMBL26094659 1.00 CCR6 (0.56) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082716 0.92 CCR6 (0.52) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30202163 0.89 CCR6 (0.52) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082729 0.89 CCR6 (0.52) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082870 0.89 CCR6 (0.53) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082915 0.88 CCR6 (0.51) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30201864 0.88 CCR6 (0.51) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30201794 0.88 CCR6 (0.53) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082643 0.88 CCR6 (0.53) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082675 0.88 CCR6 (0.53) CCR6CCNKCCNA2CDK2CDK12

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-4387609-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 — — EP disclosed
WO-2023023532-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 — — WO disclosed
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