SCHEMBL29330952

SCHEMBL29330952

N#Cc1cc(OCCc2ccc(C(F)(F)F)cc2)cc(Nc2ccc3c(F)c[nH]c3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
MET P08581 1/20 0.34
PPARA Q07869 2/20 0.32
PPARD Q03181 1/20 0.32
P2RY14 Q15391 1/20 0.32
CHRNA7 P36544 1/20 0.32
APP P05067 1/20 0.31
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
CHEK1 O14757 1/20 0.31
TRPA1 O75762 1/20 0.31
GALR2 O43603 1/20 0.31

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
SCHEMBL30938633 1.00 SIRT2 (0.35) SIRT2METPPARAPPARDP2RY14
SCHEMBL30938642 1.00 SIRT2 (0.35) SIRT2METPPARAPPARDP2RY14
SCHEMBL29330500 0.92 P2RY14 (0.35) P2RY14CHRNA7APPTRPA1GALR2
SCHEMBL29330495 0.91 IMPDH2 (0.38) METPPARAP2RY14EGFRKDR
SCHEMBL29333406 0.91 SIRT2 (0.35) SIRT2METPPARAPPARDP2RY14
SCHEMBL29329939 0.89 APP (0.38) METCHRNA7APPKDRTRPA1
SCHEMBL29328811 0.89 CDK2 (0.32) METCHEK1TRPA1GALR2
SCHEMBL29331084 0.87 SIRT2 (0.35) SIRT2METPPARAPPARDCHEK1
SCHEMBL29330715 0.87 CHRNA7 (0.35) SIRT2METPPARAPPARDCHRNA7
SCHEMBL29330502 0.87 KCNH2 (0.39) METAPPKDRTRPA1GALR2

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed