SCHEMBL29330343

SCHEMBL29330343

N#Cc1cc(OCc2ccc(C(F)(F)F)nc2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
CSF1R P07333 2/20 0.37
KIT P10721 1/20 0.37
SYK P43405 2/20 0.36
PRKCQ Q04759 5/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
PRKCD Q05655 1/20 0.34
ESR1 P03372 2/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
APP P05067 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL29330428 0.88 ESR1 (0.42) CHRNA7SYKPRKCQESR1ABL1
SCHEMBL29330093 0.88 CHRNA7 (0.41) CHRNA7SYKPRKCQESR1ABL1
SCHEMBL29330342 0.84 SYK (0.40) SYKPRKCQSIRT2SIRT1SIRT3
SCHEMBL29329869 0.84 ESR1 (0.42) SIRT2SIRT1SIRT3ESR1
SCHEMBL29330024 0.84 MAOB (0.37) SYKPRKCQSIRT2SIRT1SIRT3
SCHEMBL29330433 0.84 SYK (0.41) CSF1RSYKPRKCQSIRT2SIRT1
SCHEMBL29330430 0.83 PRKCQ (0.43) SYKPRKCQSIRT2SIRT1SIRT3
SCHEMBL29329528 0.83 SYK (0.36) SYKPRKCQSIRT2SIRT1SIRT3
SCHEMBL24539425 0.82 APP (0.43) CHRNA7SYKPRKCQESR1ABL1
SCHEMBL29745759 0.82 APP (0.43) CHRNA7SYKPRKCQESR1ABL1

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