SCHEMBL3246808

SCHEMBL3246808

CC(=O)Nc1ccc(-c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.64
KDR P35968 4/20 0.61
TEK Q02763 1/20 0.61
CDK8 P49336 1/20 0.59
MAPT P10636 2/20 0.55
MPO P05164 1/20 0.55
KDM4E B2RXH2 3/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SYK P43405 1/20 0.53
MAPK14 Q16539 2/20 0.52
KIT P10721 1/20 0.52
BRAF P15056 1/20 0.52
TNNI3K Q59H18 1/20 0.52
KIF11 P52732 1/20 0.51

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
SCHEMBL3246389 0.92 CTSC (0.58) CTSCKDRTEKCDK8MAPT
SCHEMBL3243096 0.84 CTSC (0.61) CTSCKDRTEKMAPTKDM4E
SCHEMBL3242880 0.84 BRAF (0.54) CTSCKDRTEKCDK8MAPT
SCHEMBL3243306 0.83 CTSC (0.70) CTSCKDRTEKMAPTKDM4E
SCHEMBL3239206 0.81 KDM4E (0.56) CTSCKDRTEKMAPTKDM4E
SCHEMBL3237832 0.81 MAPT (0.53) CTSCKDRTEKCDK8MAPT
SCHEMBL3243019 0.79 LCK (0.55) CTSCKDRTEKMAPTKDM4E
SCHEMBL28783007 0.79 CTSC (1.00) CTSC
SCHEMBL3247981 0.78 PTGS1 (0.61) KDRTEKCDK8MAPTMEN1
SCHEMBL23553600 0.78 MAPT (0.64) CTSCCDK8MAPTKDM4EMEN1

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