SCHEMBL29264665

SCHEMBL29264665

O=S(=O)(c1ccc(-c2ccc[nH]2)cc1)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 5/20 0.54
GAA P10253 1/20 0.50
CDK2 P24941 2/20 0.48
CCNK O75909 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK12 Q9NYV4 1/20 0.48
EPHX1 P07099 1/20 0.48
TRPV4 Q9HBA0 4/20 0.46
EPHX2 P34913 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
CCNE1 P24864 1/20 0.43
FLT3 P36888 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL29264678 0.85 CCR6 (0.76) CCR6CDK2CCNKCCNA2CDK12
SCHEMBL29264663 0.80 GAA (0.58) CCR6GAACDK2CCNKCCNA2
SCHEMBL30284876 0.77 GAA (0.60) CCR6GAACDK2CCNKCCNA2
SCHEMBL25079568 0.77 GAA (0.60) CCR6GAACDK2CCNKCCNA2
SCHEMBL24529809 0.73 GAA (0.53) CCR6GAACDK2CCNKCCNA2
SCHEMBL29264660 0.73 GAA (0.52) CCR6GAACDK2CCNKCCNA2
SCHEMBL25079508 0.73 CCR6 (0.54) CCR6GAACDK2CCNKCCNA2
SCHEMBL25079907 0.72 CCR6 (0.52) CCR6GAACDK2CCNKCCNA2
SCHEMBL29264668 0.72 CCR6 (0.73) CCR6GAACDK2CCNKCCNA2
SCHEMBL31155708 0.72 EPHX2 (0.65) CCR6GAACDK2EPHX1EPHX2

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