SCHEMBL29464906

SCHEMBL29464906

CCOC(=O)C1(C)CCN(c2cccc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(-c4c(C)cccc4C)n3)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 7/20 0.33
PRKCA P17252 4/20 0.32
PRKCQ Q04759 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
PTPN11 Q06124 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
EIF2AK4 Q9P2K8 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19968854 1.00 KIF18A (0.33) KIF18APRKCAPRKCQMEN1KMT2A
SCHEMBL19925244 0.92 SCN9A (0.33) KIF18AMEN1KMT2ASCN9AOPRM1
SCHEMBL29464451 0.92 SCN9A (0.33) KIF18AMEN1KMT2ASCN9AOPRM1
SCHEMBL19925274 0.90 RORC (0.36) KIF18APRKCAPRKCQSCN9APTPN11
SCHEMBL29464942 0.90 RORC (0.36) KIF18APRKCAPRKCQSCN9APTPN11
SCHEMBL19925765 0.88 WDR5 (0.33) KIF18ASCN9AOPRM1PTPN11
SCHEMBL29464958 0.88 SMO (0.33) KIF18AOPRM1PTPN11GAA
SCHEMBL19927758 0.88 SMO (0.33) KIF18AOPRM1PTPN11GAA
SCHEMBL29464865 0.88 JAK2 (0.33) KIF18ASCN9A
SCHEMBL19925121 0.88 JAK2 (0.33) KIF18ASCN9A

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-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed