SCHEMBL29328882

SCHEMBL29328882

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
SYK P43405 2/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
CHRNA7 P36544 3/20 0.35
KCNH2 Q12809 3/20 0.35
PRKCQ Q04759 5/20 0.34
LRRK2 Q5S007 1/20 0.34
HTR3A P46098 1/20 0.34
PRKCD Q05655 1/20 0.34
ESR1 P03372 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
ULK1 O75385 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
SCHEMBL29329943 0.89 SYK (0.37) SYKSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29329117 0.89 CDK2 (0.39) SYKSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29329640 0.88 SLC6A2 (0.39) SCN9ASYKSLC6A2SLC6A4SLC6A3
SCHEMBL29329004 0.88 PRKCQ (0.38) SYKABL1BCRPRKCQPRKCD
SCHEMBL29329211 0.87 SYK (0.36) SYKSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29328808 0.87 PRKCQ (0.41) SYKSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29329212 0.84 LRRK2 (0.36) SYKSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29330247 0.83 NFE2L2 (0.38) SYKPRKCQPRKCDESR1RET
SCHEMBL29330428 0.80 ESR1 (0.42) SYKABL1BCRCHRNA7KCNH2
SCHEMBL29330342 0.79 SYK (0.40) SYKABL1BCRPRKCQPRKCD

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