SCHEMBL22012440

SCHEMBL22012440

CCc1cc(OC(F)F)cc(C(C)C)c1NC(N)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
ACACB O00763 2/20 0.30
KCNA5 P22460 2/20 0.30
KCNH2 Q12809 2/20 0.30
KCNB1 Q14721 2/20 0.30
SCN5A Q14524 1/20 0.30
KCNK2 O95069 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
SCHEMBL30567332 0.76 POLB (0.32) L3MBTL1
SCHEMBL20680949 0.76 POLB (0.32) L3MBTL1
SCHEMBL20698984 0.73 THRA (0.31)
SCHEMBL25138899 0.72 L3MBTL1 (0.34) L3MBTL1KCNA5KCNH2KCNB1KCNK2
SCHEMBL22002752 0.72 GLA (0.41) L3MBTL1
SCHEMBL30791047 0.70 ATM (0.37) KCNA5KCNH2KCNB1KCNK2
SCHEMBL20681103 0.70 ATM (0.37) KCNA5KCNH2KCNB1KCNK2
SCHEMBL25138967 0.69 DRD1 (0.30)
SCHEMBL20692160 0.68 GABRA1 (0.38) L3MBTL1
SCHEMBL20680908 0.66 POLB (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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed