SCHEMBL29264663

SCHEMBL29264663

O=S(=O)(c1ccc(Br)cc1)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
CCR6 P51684 5/20 0.55
EPHX1 P07099 1/20 0.54
EPHX2 P34913 3/20 0.53
TRPV4 Q9HBA0 4/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.51
CCNK O75909 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK12 Q9NYV4 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL31155671 0.85 EPHX2 (0.59) CCR6EPHX1EPHX2MEN1KMT2A
SCHEMBL31155666 0.85 CCR6 (0.48) GAACCR6EPHX1EPHX2MEN1
SCHEMBL31155681 0.83 CCR6 (0.70) CCR6EPHX2MEN1KMT2ALMNA
SCHEMBL25079833 0.83 CCR6 (0.77) GAACCR6CCNKCCNA2CDK2
SCHEMBL32670559 0.83 CCR6 (0.49) GAACCR6EPHX1EPHX2MEN1
SCHEMBL32670381 0.82 USP5 (0.55) CCR6EPHX2LMNAALDH1A1
SCHEMBL26095584 0.82 TRPV4 (0.50) GAAEPHX1EPHX2TRPV4MEN1
SCHEMBL23577993 0.81 USP5 (0.58) GAAEPHX2TRPV4MEN1KMT2A
SCHEMBL24529809 0.80 GAA (0.53) GAACCR6EPHX1EPHX2TRPV4
SCHEMBL29264665 0.80 CCR6 (0.54) GAACCR6EPHX1EPHX2TRPV4

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