SCHEMBL29329120

SCHEMBL29329120

N#Cc1cc(OCc2ccc(C3CCC3)cc2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.34
SYK P43405 4/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
SIRT3 Q9NTG7 2/20 0.33
PRKCD Q05655 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ESR1 P03372 1/20 0.32
RET P07949 1/20 0.32
KCNH2 Q12809 1/20 0.32
EGFR P00533 1/20 0.32
CHEK1 O14757 1/20 0.31
PRMT5 O14744 1/20 0.31

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
SCHEMBL29329369 0.96 PRKCQ (0.34) PRKCQSYKSIRT2SIRT1SIRT3
SCHEMBL29330430 0.86 PRKCQ (0.43) PRKCQSYKSIRT2SIRT1SIRT3
SCHEMBL29329935 0.85 SCN5A (0.39) PRKCQSYKESR1RETKCNH2
SCHEMBL29330428 0.84 ESR1 (0.42) PRKCQSYKESR1KCNH2EGFR
SCHEMBL29329528 0.84 SYK (0.36) PRKCQSYKSIRT2SIRT1SIRT3
SCHEMBL29330342 0.83 SYK (0.40) PRKCQSYKSIRT2SIRT1SIRT3
SCHEMBL29330433 0.83 SYK (0.41) PRKCQSYKSIRT2SIRT1SIRT3
SCHEMBL29329117 0.81 CDK2 (0.39) PRKCQSYKPRKCDESR1KCNH2
SCHEMBL29329004 0.80 PRKCQ (0.38) PRKCQSYKPRKCDESR1RET
SCHEMBL29330247 0.80 NFE2L2 (0.38) PRKCQSYKPRKCDESR1RET

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