SCHEMBL28797271

SCHEMBL28797271

NC(=O)Oc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21962334 0.84 NLRP3 (0.34) NLRP3ALDH1A1
SCHEMBL28622039 0.77 NLRP3 (0.37) NLRP3ALDH1A1MEN1KMT2A
SCHEMBL28643739 0.75 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28791892 0.74 NLRP3 (0.48) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL20698988 0.73 ALDH1A1 (0.41) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL21963178 0.73 ACHE (0.45) ALDH1A1MEN1KMT2A
SCHEMBL28538564 0.72 LNPEP (0.33) ALDH1A1ATMSMN1; SMN2
SCHEMBL22775438 0.72 ALDH1A1 (0.40) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL18029669 0.71 NLRP3 (0.53) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL8249959 0.69 ALDH1A1 (0.44) NLRP3ALDH1A1MEN1KMT2A

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-114829345-A Acylsulfonamide compound and medicinal use thereof 日本烟草产业株式会社 2022-07-29 CN disclosed