SCHEMBL7870543

SCHEMBL7870543

COCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(OC)ccc3OC)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCC9 O60706 1/20 0.45
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CFTR P13569 1/20 0.45
HTR2A P28223 1/20 0.45
CYP2C19 P33261 1/20 0.45
PPARG P37231 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL7867837 0.94 NLRP3 (0.51) NLRP3MEN1KMT2ATSHRABCC3
SCHEMBL7867809 0.92 NLRP3 (0.63) NLRP3MEN1KMT2ATSHRABCC3
SCHEMBL7867898 0.92 KMT2A (0.50) NLRP3MEN1KMT2AALDH1A1LMNA
SCHEMBL8868282 0.90 NLRP3 (0.55) NLRP3MEN1KMT2ATSHRABCC3
SCHEMBL7871575 0.89 KMT2A (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7869461 0.89 TSHR (0.57) NLRP3MEN1KMT2ATSHRALDH1A1
SCHEMBL7869456 0.89 NLRP3 (0.49) NLRP3MEN1KMT2ATSHRABCC3
SCHEMBL7862780 0.88 CA1 (0.56) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL9018233 0.87 NLRP3 (0.50) NLRP3MEN1KMT2ATSHRABCC3
SCHEMBL7874545 0.86 NLRP3 (0.60) NLRP3MEN1KMT2ATSHRABCC3

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