SCHEMBL3243263

SCHEMBL3243263

Fc1cccc(F)c1Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEK Q02763 1/20 0.46
CTSC P53634 2/20 0.43
PLK1 P53350 1/20 0.42
SCN5A Q14524 5/20 0.39
SYK P43405 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
TRPA1 O75762 1/20 0.38
SCN9A Q15858 2/20 0.37
CYP1A2 P05177 1/20 0.37
KIF11 P52732 1/20 0.37
NPY5R Q15761 1/20 0.36
SCN1A P35498 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL4391246 0.74 TYK2 (0.45) SCN5ASYKCA12CA9ABL1
SCHEMBL2324450 0.73 TEK (0.52) TEKCTSCSCN5ACA12CA9
SCHEMBL2324455 0.73 TEK (0.55) TEKCTSCPLK1SCN5ACA12
SCHEMBL1227164 0.73 CHRM5 (0.52) TEKSCN5ACA12CA9ABL1
SCHEMBL3246352 0.72 CTSC (0.53) CTSCSYKKIF11
SCHEMBL3235251 0.70 NRP1 (0.45) TEKKCNH2SCN10A
SCHEMBL29501823 0.70 TRPA1 (0.53) CTSCSCN5AABL1BCRTRPA1
SCHEMBL28403016 0.70 TRPA1 (0.53) CTSCSCN5AABL1BCRTRPA1
SCHEMBL17157363 0.70 SCN5A (0.48) TEKSCN5ACA12CA9SCN9A
SCHEMBL3243119 0.69 CDK8 (0.46) TEKCA12CA9ABL1KIF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed