SCHEMBL25835247

SCHEMBL25835247

C=C(N)Cc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.34
NLRP3 Q96P20 6/20 0.33
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL25842059 0.81 LMNA (0.40) LMNAMAPTALDH1A1NLRP3
SCHEMBL20698988 0.81 ALDH1A1 (0.41) LMNAMAPTALDH1A1NLRP3
SCHEMBL22775438 0.79 ALDH1A1 (0.40) LMNAMAPTALDH1A1NLRP3
SCHEMBL25842048 0.79 NLRP3 (0.31) ALDH1A1NLRP3
SCHEMBL19475241 0.74 RXRB (0.42) LMNAMAPTALDH1A1NLRP3
SCHEMBL21962939 0.73 ALDH1A1 (0.41) LMNAMAPTALDH1A1NLRP3
SCHEMBL24674175 0.73 ALDH1A1 (0.38) LMNAMAPTALDH1A1NLRP3
SCHEMBL8255294 0.73 LMNA (0.49) LMNAMAPTALDH1A1NLRP3
SCHEMBL21962133 0.72 RXRB (0.40) LMNAMAPTALDH1A1NLRP3
SCHEMBL29927476 0.72 NLRP3 (0.40) LMNAMAPTALDH1A1NLRP3

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
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed