SCHEMBL7874545

SCHEMBL7874545

COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCOC(C)=O)nc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.60
MEN1 O00255 1/20 0.53
ABCC3 O15438 1/20 0.53
ABCC4 O15439 1/20 0.53
ABCC9 O60706 1/20 0.53
ABCB11 O95342 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CFTR P13569 1/20 0.53
TSHR P16473 1/20 0.53
HTR2A P28223 1/20 0.53
CYP2C19 P33261 1/20 0.53
PPARG P37231 1/20 0.53
HTR2B P41595 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL7867809 0.94 NLRP3 (0.63) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL7871657 0.91 NLRP3 (0.63) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL8869914 0.91 NLRP3 (0.63) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL7871652 0.90 NLRP3 (0.54) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL7862680 0.89 TSHR (0.54) NLRP3MEN1ALDH1A1CYP3A4MAPT
SCHEMBL9574710 0.89 EGFR (0.49) NLRP3MEN1LMNACYP1A2CYP2D6
SCHEMBL9018196 0.88 NLRP3 (0.67) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL7867710 0.88 NLRP3 (0.54) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL7867957 0.87 KMT2A (0.47) NLRP3MEN1ALDH1A1LMNAMAPT
SCHEMBL9018228 0.87 NLRP3 (0.63) NLRP3MEN1ABCC3ABCC4ABCC9

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
EP-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed