SCHEMBL25797048

SCHEMBL25797048

CC(=O)N1CCc2cc(SNC(=O)Nc3c4c(cc5c3CCC5)CCC4)sc2C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.39
NLRP3 Q96P20 17/20 0.38
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL25797998 0.88 ATM (0.41) ATMSMN1; SMN2ALDH1A1NLRP3
SCHEMBL25795800 0.79 NLRP3 (0.55) NLRP3
SCHEMBL25796017 0.78 ATM (0.38) ATMSMN1; SMN2ALDH1A1NLRP3
SCHEMBL25795542 0.78 NLRP3 (0.39) ATMSMN1; SMN2ALDH1A1NLRP3HDAC6
SCHEMBL25797061 0.78 NLRP3 (0.39) ATMSMN1; SMN2ALDH1A1NLRP3
SCHEMBL25797191 0.77 ALDH1A1 (0.42) ATMSMN1; SMN2ALDH1A1NLRP3
SCHEMBL20635783 0.73 ATM (0.44) ATMSMN1; SMN2ALDH1A1NLRP3
SCHEMBL21586490 0.72 NLRP3 (0.47) ALDH1A1NLRP3
SCHEMBL20635817 0.72 NLRP3 (0.45) ATMSMN1; SMN2ALDH1A1NLRP3
SCHEMBL22905592 0.72 NLRP3 (0.38) ATMSMN1; SMN2ALDH1A1NLRP3

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