SCHEMBL3239206

SCHEMBL3239206

O=C(Nc1cccc(-c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)c1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
GAA P10253 1/20 0.56
TEK Q02763 2/20 0.55
KDR P35968 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
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CTSC P53634 6/20 0.52
MAPT P10636 2/20 0.51
EGFR P00533 1/20 0.51
ERBB4 Q15303 1/20 0.51
AURKA O14965 2/20 0.47
LCK P06239 2/20 0.47
IGF1R P08069 1/20 0.47
EIF2AK2 P19525 1/20 0.47
SYK P43405 1/20 0.47
BMX P51813 1/20 0.47

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 0.89 CTSC (0.58) KDM4EGAATEKKDRALDH1A1
SCHEMBL3237832 0.86 MAPT (0.53) KDM4EGAATEKKDRALDH1A1
SCHEMBL3243306 0.82 CTSC (0.70) KDM4EGAATEKKDRALDH1A1
SCHEMBL3246808 0.81 CTSC (0.64) KDM4EGAATEKKDRALDH1A1
SCHEMBL3243096 0.81 CTSC (0.61) KDM4EGAATEKKDRALDH1A1
SCHEMBL3243019 0.81 LCK (0.55) KDM4EGAATEKKDRALDH1A1
SCHEMBL2883710 0.79 MAPT (0.68) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL3235336 0.78 CTSC (0.59) KDM4EGAAALDH1A1POLBHPGD
SCHEMBL3246053 0.77 CTSC (0.62) KDM4EGAATEKKDRALDH1A1
SCHEMBL3247802 0.75 BRAF (0.58) KDM4EKDRMEN1KMT2ACTSC

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