SCHEMBL29328815

SCHEMBL29328815

N#Cc1cc(OCCc2cccc(Cl)c2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
PRKCQ Q04759 7/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
MET P08581 1/20 0.35
PRKCD Q05655 1/20 0.35
BACE1 P56817 1/20 0.34
SYK P43405 2/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
CHEK1 O14757 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL29330563 0.90 PRKCQ (0.39) PRKCQSIRT2SLC6A4METPRKCD
SCHEMBL29329290 0.90 PRKCQ (0.42) PRKCQMETPRKCDSYK
SCHEMBL29328881 0.88 SYK (0.38) MAOBPRKCQMETPRKCDSYK
SCHEMBL29329368 0.87 ESR1 (0.41) PRKCQSIRT2MET
SCHEMBL29329365 0.85 MET (0.40) MAOBPRKCQMETPRKCDSYK
SCHEMBL29330167 0.84 PRKCQ (0.39) PRKCQSIRT2PRKCDSYKCHEK1
SCHEMBL29329726 0.84 SYK (0.39) PRKCQMETPRKCDSYKAHR
SCHEMBL29329867 0.84 PRKCQ (0.40) PRKCQSIRT2PRKCDSYKSIRT1
SCHEMBL29330430 0.83 PRKCQ (0.43) MAOBPRKCQSIRT2BACE1SYK
SCHEMBL29329866 0.82 PRKCQ (0.38) PRKCQMETPRKCDSYK

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