SCHEMBL3247964

SCHEMBL3247964

O=Cc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.49
SYK P43405 1/20 0.44
IGF1R P08069 2/20 0.43
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
EGFR P00533 3/20 0.40
ITK Q08881 1/20 0.40
TEK Q02763 1/20 0.40
KIF11 P52732 1/20 0.40
CDK8 P49336 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.40
EPHX2 P34913 1/20 0.39
DHODH Q02127 1/20 0.39
KDR P35968 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39

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
SCHEMBL3234950 0.82 CTSC (0.52) CTSCSYKIGF1RGALR2GALR1
SCHEMBL3242077 0.82 CTSC (0.47) CTSCSYKIGF1RGALR2GALR1
SCHEMBL3247802 0.81 BRAF (0.58) CTSCSYKEGFRITKKDR
SCHEMBL3245571 0.81 ABL1 (0.59) CTSCSYKEGFRITKABL1
SCHEMBL3245277 0.81 ABL1 (0.55) CTSCKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL3246352 0.81 CTSC (0.53) CTSCSYKIGF1RGALR2GALR1
SCHEMBL3244032 0.79 KDR (0.48) CTSCTEKEPHX2KDR
SCHEMBL3247799 0.79 ABL1 (0.60) CTSCEGFRITKABL1BCR
SCHEMBL3235430 0.79 CTSC (0.46) CTSCSYKIGF1REGFRITK
SCHEMBL3247795 0.79 BRAF (0.46) CTSCEGFRCYP3A4CYP2D6CYP2C19

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