SCHEMBL29464403

SCHEMBL29464403

Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N3CCC(C(=O)O)CC3)n2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RORC P51449 3/20 0.37
NOTUM Q6P988 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PTGDR Q13258 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL19925152 1.00 SMO (0.41) SMOLMNAHTTRORCNOTUM
SCHEMBL19925212 0.91 LMNA (0.43) SMOLMNAKDM4EHSD17B10
SCHEMBL29464366 0.91 LMNA (0.43) SMOLMNAKDM4EHSD17B10
SCHEMBL19968812 0.90 SMO (0.43) SMOLMNAKDM4EHSD11B1
SCHEMBL24361008 0.89 SMO (0.39) SMOHSD11B1
SCHEMBL23748043 0.87 SMO (0.36) SMONPSR1HSD11B1
SCHEMBL22323205 0.86 SMO (0.39) SMO
SCHEMBL19951383 0.85 SMO (0.35) SMORORCHSD11B1
SCHEMBL29464514 0.85 PTPN11 (0.35) SMOHSD11B1
SCHEMBL29464384 0.85 SMO (0.35) SMORORCHSD11B1

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