SCHEMBL9517134

SCHEMBL9517134

COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.68
MEN1 O00255 1/20 0.59
ABCC3 O15438 1/20 0.59
ABCC4 O15439 1/20 0.59
ABCC9 O60706 1/20 0.59
ABCB11 O95342 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
CFTR P13569 1/20 0.59
TSHR P16473 1/20 0.59
HTR2A P28223 1/20 0.59
CYP2C19 P33261 1/20 0.59
PPARG P37231 1/20 0.59
HTR2B P41595 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL8869087 0.90 NLRP3 (0.68) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL9141573 0.88 NLRP3 (0.68) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL9139795 0.88 NLRP3 (0.68) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL8869981 0.88 NLRP3 (0.67) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL9018196 0.88 NLRP3 (0.67) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL9516064 0.87 TSHR (0.62) NLRP3ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL7871657 0.86 NLRP3 (0.63) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL9140218 0.85 NLRP3 (0.64) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL9138507 0.85 NLRP3 (0.64) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL9516122 0.85 CA1 (0.62) MEN1ALDH1A1LMNAMAPTTSHR

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-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed