SCHEMBL21646768

SCHEMBL21646768

CC1CCc2cc3c(c(NC(N)=O)c21)CCC3

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 16/20 0.43
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GSTO1 P78417 1/20 0.37

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
SCHEMBL18029669 0.82 NLRP3 (0.53) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL25031965 0.82 NLRP3 (0.38) NLRP3ATMSMN1; SMN2ALDH1A1GSTO1
SCHEMBL29494713 0.81 NLRP3 (0.51) NLRP3ATMSMN1; SMN2ALDH1A1
Potassium SCHEMBL29676171 0.81 NLRP3 (0.51) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL25845405 0.81 NLRP3 (0.51) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22012162 0.79 NLRP3 (0.50) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL28523849 0.78 NLRP3 (0.38) NLRP3ATMSMN1; SMN2ALDH1A1GSTO1
SCHEMBL20692050 0.73 BCHE (0.32) —
SCHEMBL23674551 0.73 BCHE (0.32) —
SCHEMBL23674508 0.73 BCHE (0.32) —

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-2020018975-A1 SULFONIMIDAMIDE COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 — — WO disclosed
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