SCHEMBL29330715

SCHEMBL29330715

N#Cc1cc(OCCc2ccc(C(F)(F)F)cc2)cc(Nc2cc(Cl)c3c(F)c[nH]c3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.35
CHEK1 O14757 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
MET P08581 1/20 0.32
ROCK2 O75116 1/20 0.32
PPARA Q07869 2/20 0.31
PPARD Q03181 1/20 0.31
KCNH2 Q12809 1/20 0.30
IDO1 P14902 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
SCHEMBL30938633 0.87 SIRT2 (0.35) CHRNA7CHEK1SIRT2METPPARA
SCHEMBL30938642 0.87 SIRT2 (0.35) CHRNA7CHEK1SIRT2METPPARA
SCHEMBL29330952 0.87 SIRT2 (0.35) CHRNA7CHEK1SIRT2METPPARA
SCHEMBL29331084 0.86 SIRT2 (0.35) CHEK1SIRT2METPPARAPPARD
SCHEMBL29330716 0.86 CHRNA7 (0.35) CHRNA7CHEK1SIRT2PPARAPPARD
SCHEMBL29333406 0.81 SIRT2 (0.35) CHRNA7SIRT2METPPARAPPARD
SCHEMBL29330500 0.79 P2RY14 (0.35) CHRNA7KCNH2
SCHEMBL29330495 0.78 IMPDH2 (0.38) METPPARA
SCHEMBL29329939 0.76 APP (0.38) CHRNA7METROCK2KCNH2
SCHEMBL29328811 0.76 CDK2 (0.32) CHEK1MET

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