SCHEMBL30168573

SCHEMBL30168573

CC(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 0.60
AKR1B1 P15121 4/20 0.41
GPR139 Q6DWJ6 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL24077213 1.00 NLRP3 (0.60) NLRP3AKR1B1GPR139MAPT
SCHEMBL24077227 0.94 NLRP3 (0.55) NLRP3AKR1B1
SCHEMBL24076982 0.94 NLRP3 (0.55) NLRP3AKR1B1
SCHEMBL24077286 0.92 NLRP3 (0.56) NLRP3MAPT
SCHEMBL24076990 0.88 NLRP3 (0.58) NLRP3
SCHEMBL24077195 0.88 NLRP3 (0.53) NLRP3AKR1B1
SCHEMBL24077353 0.87 NLRP3 (0.63) NLRP3AKR1B1GPR139MAPT
SCHEMBL24076985 0.87 NLRP3 (0.60) NLRP3
SCHEMBL29348126 0.86 NLRP3 (0.44) NLRP3AKR1B1GPR139MAPT
SCHEMBL24077346 0.86 NLRP3 (0.60) NLRP3AKR1B1GPR139MAPT

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
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 CN disclosed