SCHEMBL3466367

SCHEMBL3466367

CC(=O)c1cccc(-c2cnc3c(NCc4ccco4)nccn23)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.61
EED O75530 3/20 0.47
TTK P33981 7/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
ZAP70 P43403 1/20 0.42
KARS1 Q15046 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3467720 0.89 FYN (0.62) FYNEEDTTKALDH1A1ZAP70
SCHEMBL3476687 0.85 EED (0.51) FYNEEDTTKZAP70KARS1
SCHEMBL3469327 0.83 EED (0.48) FYNEEDTTKALDH1A1HTT
SCHEMBL3470178 0.82 TTK (0.67) FYNTTK
SCHEMBL5396387 0.81 FYN (0.48) FYNTTK
SCHEMBL3467556 0.80 EED (0.51) EEDTTKALDH1A1HTTMEN1
SCHEMBL3469470 0.80 EED (0.51) FYNEEDTTKALDH1A1MAPT
SCHEMBL3466394 0.80 EED (0.51) EEDTTKZAP70KARS1
SCHEMBL12409245 0.79 TTK (0.49) FYNTTKZAP70
SCHEMBL12409314 0.79 MAPK1 (0.50) FYNEEDTTKALDH1A1ZAP70

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed