SCHEMBL20775414

SCHEMBL20775414

Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1NC(=O)NS(=O)(=O)/C=C/c1nccs1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 0.65
HPGD P15428 2/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ACP1 P24666 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL20782934 0.84 NLRP3 (0.74) NLRP3ACP1
SCHEMBL20783123 0.81 NLRP3 (0.65) NLRP3ACP1
SCHEMBL20775419 0.79 NLRP3 (1.00) NLRP3
SCHEMBL20775422 0.74 NLRP3 (0.61) NLRP3HPGDKDM4E
SCHEMBL20782977 0.73 NLRP3 (0.59) NLRP3
SCHEMBL20783097 0.72 NLRP3 (1.00) NLRP3
SCHEMBL20782915 0.69 NLRP3 (0.55) NLRP3ACP1
SCHEMBL20783076 0.67 NLRP3 (0.53) NLRP3KDM4E
SCHEMBL4264655 0.61 AVPR2 (0.52) NLRP3HPGD
SCHEMBL4264663 0.61 AVPR2 (0.52) NLRP3HPGD

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
WO-2019043610-A1 NOVEL SUBSTITUTED SULFONYLUREA DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2019-03-07 WO disclosed