SCHEMBL11625399

SCHEMBL11625399

CNC(=O)Nc1c(C(F)(F)C(O)(F)C(F)(F)F)ccc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.38
CA2 P00918 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
SCHEMBL11625276 0.89 NLRP3 (0.37) NLRP3CA2
SCHEMBL11625397 0.89 NLRP3 (0.40) NLRP3CA2
SCHEMBL11624010 0.86 NLRP3 (0.38) NLRP3
SCHEMBL11625273 0.86 NLRP3 (0.39) NLRP3CA2
SCHEMBL11624497 0.85 L3MBTL1 (0.34) NLRP3
SCHEMBL11628632 0.85 NLRP3 (0.45) NLRP3CA2
SCHEMBL11624099 0.83 NLRP3 (0.38) NLRP3CA2
SCHEMBL11624098 0.83 NLRP3 (0.39) NLRP3CA2
SCHEMBL11624097 0.83 NLRP3 (0.36) NLRP3
SCHEMBL11624094 0.80 NLRP3 (0.37) NLRP3

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
US-4093742-A Anti-hypertensive polyhaloisopropyl-substituted arylureas SCHERING CORPORATION (US) 1978-06-06 US claimed
US-4093742-A Anti-hypertensive polyhaloisopropyl-substituted arylureas SCHERING CORPORATION (US) 1978-06-06 US disclosed