SCHEMBL29329292

SCHEMBL29329292

Cc1cccc(COc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
PRKCQ Q04759 5/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 5/20 0.36
SYK P43405 2/20 0.36
MET P08581 1/20 0.36
APP P05067 1/20 0.36
PRKCD Q05655 1/20 0.35

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
SCHEMBL29330430 0.89 PRKCQ (0.43) SIRT2SIRT1SIRT3PRKCQMAPT
SCHEMBL29329869 0.86 ESR1 (0.42) SIRT2SIRT1SIRT3MAPTTP53
SCHEMBL29329944 0.86 SIRT2 (0.41) SIRT2SIRT1SIRT3PRKCQSYK
SCHEMBL29330342 0.85 SYK (0.40) SIRT2SIRT1SIRT3PRKCQSYK
SCHEMBL29330433 0.84 SYK (0.41) SIRT2SIRT1SIRT3PRKCQMAOB
SCHEMBL29329290 0.83 PRKCQ (0.42) PRKCQSYKMETPRKCD
SCHEMBL29330166 0.82 PRKCQ (0.39) PRKCQMAPTNPC1TP53GAA
SCHEMBL29329871 0.82 RET (0.39) SIRT2SIRT1SIRT3PRKCQMAPT
SCHEMBL29330563 0.81 PRKCQ (0.39) SIRT2SIRT1SIRT3PRKCQSYK
SCHEMBL29330425 0.80 ESR1 (0.42) PRKCQMAPK1SYKMETPRKCD

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