SCHEMBL29464503

SCHEMBL29464503

Cc1ccc(C(F)(F)F)cc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
GPR119 Q8TDV5 2/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
BRD4 O60885 1/20 0.39
TGFBR1 P36897 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
SYK P43405 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
KIF18A Q8NI77 1/20 0.38
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
STS P08842 2/20 0.37
SCN9A Q15858 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CCNK O75909 1/20 0.35
CCNA2 P20248 1/20 0.35

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
SCHEMBL19925728 1.00 MCL1 (0.42) MCL1GPR119RAF1BRAFBRD4
SCHEMBL29464405 0.91 BRD4 (0.41) BRD4MEN1KMT2ASUV39H2KIF18A
SCHEMBL19925051 0.91 BRD4 (0.41) BRD4MEN1KMT2ASUV39H2KIF18A
SCHEMBL23748047 0.91 TRPV1 (0.38) MCL1RAF1BRAFKMT2AMAPT
SCHEMBL19925164 0.86 STS (0.41) GPR119BRD4TGFBR1MEN1KMT2A
SCHEMBL29464463 0.86 STS (0.41) GPR119BRD4TGFBR1MEN1KMT2A
SCHEMBL19968832 0.85 IDH1 (0.37) MCL1RAF1BRAFMEN1KMT2A
Hydrochloric Acid SCHEMBL19951419 0.85 IDH1 (0.37) MCL1RAF1BRAFMEN1KMT2A
SCHEMBL23770751 0.84 GPR119 (0.40) MCL1GPR119RAF1BRAFMEN1
SCHEMBL19925386 0.84 RAF1 (0.37) MCL1RAF1BRAFKMT2ASCN9A

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