SCHEMBL29264678

SCHEMBL29264678

O=S(=O)(c1ccc(-c2ccc[nH]2)cc1)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 17/20 0.76
CCNA2 P20248 3/20 0.67
CDK2 P24941 3/20 0.67
CCNK O75909 1/20 0.67
CDK12 Q9NYV4 1/20 0.67
CCR7 P32248 1/20 0.47

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
SCHEMBL30988522 0.86 CCR6 (1.00) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL30988521 0.86 CCR6 (1.00) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL29264665 0.85 CCR6 (0.54) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL29264668 0.85 CCR6 (0.73) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL29264688 0.83 CCR6 (0.79) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL25079833 0.82 CCR6 (0.77) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL25079542 0.82 CCR6 (0.71) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL30284778 0.82 CCR6 (0.71) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL25079522 0.82 CCR6 (0.71) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL25079479 0.81 CCR6 (0.67) CCR6CCNA2CDK2CCNKCDK12

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
CN-118019735-A Arylsulfonyl compounds as CCR6 inhibitors 坎莫森特里克斯公司 2024-05-10 CN disclosed