SCHEMBL23675073

SCHEMBL23675073

O=C(O)Nc1c2c(cc3c1CC3)CC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 17/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20681634 0.92 NLRP3 (0.51) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL20713466 0.87 NLRP3 (0.54) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL21962723 0.78 NLRP3 (0.47) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22012162 0.74 NLRP3 (0.50) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22013712 0.74 NLRP3 (0.54) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL29438780 0.71 NLRP3 (0.51) NLRP3
SCHEMBL21810595 0.71 NLRP3 (0.44) NLRP3
SCHEMBL30852987 0.71 NLRP3 (0.63) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22282336 0.69 NLRP3 (0.33) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL24298488 0.69 NLRP3 (0.30) NLRP3ALDH1A1

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-2021150574-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2021-07-29 — — WO disclosed
Send feedback