SCHEMBL25797191

SCHEMBL25797191

CCN1CCc2sc(SNC(=O)Nc3c4c(cc5c3CC5)CCC4)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NLRP3 Q96P20 14/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL25796017 0.82 ATM (0.38) ALDH1A1NLRP3ATMSMN1; SMN2
SCHEMBL25795548 0.80 NLRP3 (0.52) NLRP3
SCHEMBL25254996 0.79 NLRP3 (0.52) NLRP3
SCHEMBL25797998 0.79 ATM (0.41) ALDH1A1NLRP3ATMSMN1; SMN2
SCHEMBL25797048 0.77 ATM (0.42) ALDH1A1NLRP3ATMSMN1; SMN2
SCHEMBL25795887 0.76 MEN1 (0.45) ALDH1A1NLRP3ATMSMN1; SMN2
SCHEMBL25796015 0.73 NLRP3 (0.32) NLRP3
SCHEMBL20635815 0.72 ALDH1A1 (0.49) ALDH1A1NLRP3ATMSMN1; SMN2
SCHEMBL20635823 0.71 ALDH1A1 (0.48) ALDH1A1NLRP3ATMSMN1; SMN2
SCHEMBL25795780 0.70 CSF1R (0.35) ALDH1A1NLRP3ATMSMN1; SMN2

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-2023116812-A1 SULFONYLUREA COMPOUND 瑞石生物医药有限公司 2023-06-29 WO disclosed