SCHEMBL3243306

SCHEMBL3243306

FC(F)(F)c1cccc(Nc2ccc(-c3ccccc3)cn2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSC P53634 10/20 0.70
KDM4E B2RXH2 3/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
AURKA O14965 2/20 0.55
IDH2 P48735 1/20 0.55
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDR P35968 1/20 0.53
TEK Q02763 1/20 0.53
THRB P10828 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL3243096 0.93 CTSC (0.61) CTSCKDM4EGAAMAPTMEN1
SCHEMBL3235336 0.87 CTSC (0.59) CTSCKDM4EGAAMAPTMEN1
SCHEMBL3246053 0.84 CTSC (0.62) CTSCKDM4EGAAMAPTMEN1
SCHEMBL25658138 0.83 CTSC (1.00) CTSC
SCHEMBL29816660 0.83 CTSC (1.00) CTSC
SCHEMBL3246808 0.83 CTSC (0.64) CTSCKDM4EGAAMAPTMEN1
SCHEMBL3246389 0.82 CTSC (0.58) CTSCKDM4EGAAMAPTMEN1
SCHEMBL3239206 0.82 KDM4E (0.56) CTSCKDM4EGAAMAPTMEN1
SCHEMBL31593020 0.81 DGAT1 (0.66) CTSCKDR
SCHEMBL3242738 0.80 KDM4E (0.54) CTSCKDM4EGAAMAPTMEN1

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