SCHEMBL3469327

SCHEMBL3469327

COc1cccc(-c2cnc3c(NCc4ccco4)nccn23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.48
ZAP70 P43403 1/20 0.47
KARS1 Q15046 1/20 0.47
HSD17B10 Q99714 5/20 0.47
ALOX15 P16050 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
PDE5A O76074 1/20 0.45
FYN P06241 1/20 0.45
TP53 P04637 5/20 0.45
ALDH1A1 P00352 5/20 0.45
USP2 O75604 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45

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
SCHEMBL3469812 0.90 ZAP70 (0.47) EEDZAP70KARS1HSD17B10KDM4E
SCHEMBL12409314 0.86 MAPK1 (0.50) EEDZAP70KARS1HSD17B10ALOX15
SCHEMBL3476687 0.85 EED (0.51) EEDZAP70KARS1FYNPIK3CG
SCHEMBL3466394 0.83 EED (0.51) EEDZAP70KARS1TTK
SCHEMBL3466367 0.83 FYN (0.61) EEDZAP70KARS1HTTFYN
SCHEMBL3467556 0.82 EED (0.51) EEDHSD17B10KDM4ELMNAHTT
SCHEMBL3467720 0.81 FYN (0.62) EEDZAP70KARS1HSD17B10ALOX15
SCHEMBL3470355 0.81 CYP1A2 (0.53) HSD17B10ALOX15TSHRFYNTP53
SCHEMBL3466960 0.80 EED (0.50) EEDZAP70KARS1HSD17B10ALOX15
SCHEMBL3469470 0.80 EED (0.51) EEDKDM4ELMNAFYNALDH1A1

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