SCHEMBL11628629

SCHEMBL11628629

CCNC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.47
KCNJ11 Q14654 10/20 0.39
ABCC9 O60706 5/20 0.39
ABCC8 Q09428 5/20 0.39
KCNJ8 Q15842 5/20 0.39
NR1I2 O75469 1/20 0.35
RORC P51449 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
SCHEMBL11628632 0.90 NLRP3 (0.45) NLRP3KCNJ11
SCHEMBL11625397 0.84 NLRP3 (0.40) NLRP3KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL11624493 0.78 KCNJ11 (0.38) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL11624098 0.76 NLRP3 (0.39) NLRP3
SCHEMBL11625273 0.73 NLRP3 (0.39) NLRP3
SCHEMBL11625399 0.73 NLRP3 (0.38) NLRP3
SCHEMBL11623939 0.72 KCNJ11 (0.73) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL11623628 0.72 SMN1; SMN2 (0.41) NLRP3
SCHEMBL11624010 0.72 NLRP3 (0.38) NLRP3
SCHEMBL11625276 0.72 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 1 patent. 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 disclosed