SCHEMBL25834605

SCHEMBL25834605

C=C(N)Nc1c2c(nc3c1CCC3C)CCC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.45
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 2/20 0.35
HRH3 Q9Y5N1 8/20 0.34
HRH2 P25021 6/20 0.34
EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL22021144 0.88 NLRP3 (0.48) NLRP3CYP1A2GAANPSR1USP2
SCHEMBL22021099 0.88 NLRP3 (0.48) NLRP3CYP1A2GAANPSR1USP2
SCHEMBL25823041 0.84 NLRP3 (0.46) NLRP3CYP1A2GAANPSR1USP2
SCHEMBL22020797 0.83 NLRP3 (0.48) NLRP3CYP1A2GAANPSR1USP2
SCHEMBL21963400 0.83 NLRP3 (0.48) NLRP3CYP1A2GAANPSR1USP2
SCHEMBL22265280 0.83 NLRP3 (0.48) NLRP3CYP1A2GAANPSR1USP2
SCHEMBL24978041 0.82 NLRP3 (0.52) NLRP3CYP1A2GAANPSR1USP2
SCHEMBL25842158 0.77 NLRP3 (0.46) NLRP3CYP1A2GAANPSR1USP2
SCHEMBL22020311 0.76 NLRP3 (0.48) NLRP3CYP1A2GAANPSR1USP2
SCHEMBL30120777 0.76 NLRP3 (0.48) NLRP3CYP1A2GAANPSR1USP2

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