SCHEMBL29464355

SCHEMBL29464355

Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C(=O)O)n2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
SFRP1 Q8N474 7/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
WNT3 P56703 3/20 0.34
TGFBR1 P36897 2/20 0.34
APLNR P35414 1/20 0.34
P2RX7 Q99572 2/20 0.33
KAT7 O95251 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
BRD4 O60885 1/20 0.33
CKS1B P61024 2/20 0.33
SKP1 P63208 2/20 0.33
SKP2 Q13309 2/20 0.33

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
SCHEMBL29464438 1.00 MCL1 (0.39) MCL1SFRP1HDAC6HDAC8SMARCA2
SCHEMBL19925020 1.00 MCL1 (0.39) MCL1SFRP1HDAC6HDAC8SMARCA2
SCHEMBL19925770 1.00 MCL1 (0.39) MCL1SFRP1HDAC6HDAC8SMARCA2
SCHEMBL19925175 0.88 CKS1B (0.41) SFRP1SMARCA2SMARCA4PBRM1TGFBR1
SCHEMBL29464343 0.88 CKS1B (0.41) SFRP1SMARCA2SMARCA4PBRM1TGFBR1
SCHEMBL29464410 0.87 MCL1 (0.38) MCL1SFRP1WNT3
SCHEMBL19925691 0.87 MCL1 (0.38) MCL1SFRP1WNT3
SCHEMBL19927718 0.87 MCL1 (0.38) MCL1SFRP1WNT3
SCHEMBL29464470 0.87 MCL1 (0.38) MCL1SFRP1WNT3
SCHEMBL23770700 0.85 HDAC6 (0.36) MCL1SFRP1HDAC6HDAC8SMARCA2

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