SCHEMBL23748043

SCHEMBL23748043

Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)O)CC3)n2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STS P08842 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 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
SCHEMBL29464463 0.88 STS (0.41) SMOSTSKMT2A
SCHEMBL19925164 0.88 STS (0.41) SMOSTSKMT2A
SCHEMBL19925152 0.87 SMO (0.41) SMOHSD11B1NPSR1
SCHEMBL29464403 0.87 SMO (0.41) SMOHSD11B1NPSR1
SCHEMBL23748054 0.87 P2RX7 (0.36) SMOHSD11B1NPSR1
SCHEMBL29464384 0.86 SMO (0.35) SMOHSD11B1
SCHEMBL19951383 0.86 SMO (0.35) SMOHSD11B1
SCHEMBL29464514 0.86 PTPN11 (0.35) SMOHSD11B1
SCHEMBL19925154 0.86 SMO (0.35) SMOHSD11B1
SCHEMBL19925162 0.86 PTPN11 (0.35) SMOHSD11B1

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP claimed