SCHEMBL29329944

SCHEMBL29329944

N#Cc1cc(OCc2cccc(OC(F)F)c2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
PRKCQ Q04759 4/20 0.37
GALR2 O43603 4/20 0.37
MPO P05164 1/20 0.37
SYK P43405 2/20 0.36
GALR1 P47211 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MET P08581 1/20 0.36
ALKBH1 Q13686 1/20 0.34
TNIK Q9UKE5 1/20 0.34
ESR1 P03372 1/20 0.33
GRM4 Q14833 1/20 0.33
TNF P01375 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL29329528 0.91 SYK (0.36) SIRT2SIRT1SIRT3PRKCQGALR2
SCHEMBL29330430 0.86 PRKCQ (0.43) SIRT2SIRT1SIRT3PRKCQSYK
SCHEMBL29329292 0.86 SIRT2 (0.41) SIRT2SIRT1SIRT3PRKCQSYK
SCHEMBL29329869 0.85 ESR1 (0.42) SIRT2SIRT1SIRT3ESR1
SCHEMBL29330342 0.84 SYK (0.40) SIRT2SIRT1SIRT3PRKCQSYK
SCHEMBL29330433 0.83 SYK (0.41) SIRT2SIRT1SIRT3PRKCQSYK
SCHEMBL29330428 0.80 ESR1 (0.42) PRKCQGALR2SYKESR1
SCHEMBL29329290 0.80 PRKCQ (0.42) PRKCQSYKMETESR1
SCHEMBL29330563 0.79 PRKCQ (0.39) SIRT2SIRT1SIRT3PRKCQSYK
SCHEMBL29329725 0.79 PRKCQ (0.40) PRKCQSYKMETESR1

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