SCHEMBL29329211

SCHEMBL29329211

N#Cc1cc(OCC2CCC(F)(F)CC2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PRKCQ Q04759 5/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
LRRK2 Q5S007 5/20 0.34
PRKCD Q05655 1/20 0.34
ESR1 P03372 1/20 0.33
MET P08581 1/20 0.33
RET P07949 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
SCHEMBL29329212 0.95 LRRK2 (0.36) SYKSLC6A2SLC6A4SLC6A3PRKCQ
SCHEMBL29329117 0.89 CDK2 (0.39) SYKSLC6A2SLC6A4SLC6A3PRKCQ
SCHEMBL29328882 0.87 SCN9A (0.36) SYKSLC6A2SLC6A4SLC6A3PRKCQ
SCHEMBL29328808 0.87 PRKCQ (0.41) SYKSLC6A2SLC6A4SLC6A3PRKCQ
SCHEMBL29329943 0.87 SYK (0.37) SYKSLC6A2SLC6A4SLC6A3PRKCQ
SCHEMBL29329640 0.86 SLC6A2 (0.39) SYKSLC6A2SLC6A4SLC6A3PRKCQ
SCHEMBL29329004 0.84 PRKCQ (0.38) SYKPRKCQPRKCDESR1RET
SCHEMBL29330247 0.81 NFE2L2 (0.38) SYKPRKCQPRKCDESR1RET
SCHEMBL29329365 0.80 MET (0.40) SYKPRKCQPRKCDESR1MET
SCHEMBL29329290 0.79 PRKCQ (0.42) SYKPRKCQPRKCDESR1MET

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