SCHEMBL29330430

SCHEMBL29330430

N#Cc1cc(OCc2ccccc2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.43
EGFR P00533 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
AURKB Q96GD4 1/20 0.41
IMPDH2 P12268 1/20 0.41
MAPT P10636 2/20 0.40
APP P05067 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
MAOB P27338 2/20 0.40
ALOX5 P09917 1/20 0.38
NSD2 O96028 2/20 0.38
AR P10275 1/20 0.38
AS3MT Q9HBK9 1/20 0.38
BACE1 P56817 1/20 0.37
SYK P43405 2/20 0.37
ABL1 P00519 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL29329290 0.91 PRKCQ (0.42) PRKCQEGFRSYK
SCHEMBL29329292 0.89 SIRT2 (0.41) PRKCQMAPTAPPSIRT2SIRT1
SCHEMBL29330342 0.89 SYK (0.40) PRKCQEGFRAPPSIRT2SIRT1
SCHEMBL29330345 0.88 PRKCQ (0.38) PRKCQEGFRTTBK1TTBK2AURKB
SCHEMBL29330428 0.88 ESR1 (0.42) PRKCQEGFRMAOBSYKABL1
SCHEMBL29329369 0.88 PRKCQ (0.34) PRKCQEGFRAPPSIRT2SIRT1
SCHEMBL29329528 0.88 SYK (0.36) PRKCQMAPTSIRT2SIRT1SIRT3
SCHEMBL29329869 0.87 ESR1 (0.42) MAPTSIRT2SIRT1SIRT3MAOB
SCHEMBL29330433 0.86 SYK (0.41) PRKCQSIRT2SIRT1SIRT3MAOB
SCHEMBL29330567 0.85 PRKCQ (0.45) PRKCQTTBK1TTBK2SYKMEN1

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