SCHEMBL29464339

SCHEMBL29464339

Cc1ccc(C#N)cc1-c1nc(NS(=O)(=O)c2cccc(N3CC(C)(O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.34
HSD11B1 P28845 4/20 0.34
FASN P49327 8/20 0.34
AR P10275 1/20 0.33
SOS1 Q07889 1/20 0.32
LRRK2 Q5S007 1/20 0.32
IDH1 O75874 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
KHK P50053 1/20 0.31

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
SCHEMBL19951298 1.00 KIF18A (0.34) KIF18AHSD11B1FASNARSOS1
SCHEMBL19925208 0.89 KIF18A (0.36) KIF18ASOS1RAF1BRAF
SCHEMBL19951446 0.88 HSD11B1 (0.35) KIF18AHSD11B1FASNARLRRK2
SCHEMBL19951408 0.88 ADRB2 (0.35) HSD11B1FASNSLC22A12
SCHEMBL29464385 0.86 SOS1 (0.39) KIF18AARSOS1SLC22A12KHK
SCHEMBL19951407 0.86 SOS1 (0.39) KIF18AARSOS1SLC22A12KHK
SCHEMBL19951400 0.85 SCN9A (0.38) HSD11B1FASNSLC22A12RAF1BRAF
SCHEMBL19925199 0.84 KIF18A (0.36) KIF18ASOS1RAF1BRAF
SCHEMBL19925682 0.82 KIF18A (0.36) KIF18AHSD11B1SOS1LRRK2
SCHEMBL29464448 0.82 KIF18A (0.36) KIF18AHSD11B1SOS1LRRK2

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
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 claimed
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