SCHEMBL3244847

SCHEMBL3244847

COc1cc(Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.56
PLK3 Q9H4B4 1/20 0.56
CTSC P53634 3/20 0.53
PTK2 Q05397 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAK O14976 4/20 0.48
EGFR P00533 1/20 0.48
EPHB6 O15197 1/20 0.48
RIPK2 O43353 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
EPHA1 P21709 1/20 0.48
EPHA8 P29322 1/20 0.48
TXK P42681 1/20 0.48
COQ8A Q8NI60 1/20 0.48

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
SCHEMBL6893754 0.80 FYN (0.48) HPGDEGFRLCKBRAFABCB1
SCHEMBL3243306 0.75 CTSC (0.70) CTSCKDM4EALDH1A1GAAHPGD
SCHEMBL21017078 0.75 ALDH1A1 (0.48) CTSCALDH1A1GAA
SCHEMBL4338170 0.74 PIK3CG (0.69) PLK1PLK3PTK2
SCHEMBL3243096 0.74 CTSC (0.61) CTSCKDM4EALDH1A1GAAHPGD
SCHEMBL3246053 0.74 CTSC (0.62) CTSCKDM4EALDH1A1GAAHPGD
SCHEMBL11161140 0.73 KIF11 (0.47) CTSCKDM4EALDH1A1GAA
SCHEMBL16248315 0.72 BRAF (0.54) PTK2KDM4EGAAEGFRBRAF
SCHEMBL3246389 0.72 CTSC (0.58) CTSCKDM4EALDH1A1GAAHPGD
Gw837331X SCHEMBL3996619 0.72 PLK1 (1.00) PLK1PLK3PTK2

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