SCHEMBL3243299

SCHEMBL3243299

COc1cc(-c2ccc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ZAP70 P43403 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DGAT1 O75907 1/20 0.47
SOAT1 P35610 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 4/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
GAA P10253 1/20 0.47
ACVR1 Q04771 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ERN1 O75460 1/20 0.46

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
SCHEMBL5236345 0.89 ZAP70 (0.56) ZAP70TLR9TLR8TLR7ACVR1
SCHEMBL3242089 0.87 TSHR (0.53) SMN1; SMN2HPGDKDM4ELMNAHTT
SCHEMBL5235053 0.85 ZAP70 (0.56) ZAP70TLR9TLR8TLR7ACVR1
SCHEMBL5623507 0.81 ZAP70 (0.54) ZAP70ACVR1ERN1ALDH1A1
SCHEMBL5232807 0.80 ERN1 (0.52) KDM4EZAP70TLR9TLR8TLR7
SCHEMBL5230858 0.80 ACVR1 (0.48) ZAP70ACVR1ERN1
SCHEMBL5234898 0.80 ZAP70 (0.53) ZAP70TLR9TLR8TLR7ACVR1
SCHEMBL13136625 0.79 ZAP70 (0.52) ZAP70TLR9TLR8TLR7ACVR1
SCHEMBL5232609 0.78 ZAP70 (0.55) KDM4EZAP70LMNAHSD17B10ACVR1
SCHEMBL3243297 0.78 ZAP70 (0.47) ZAP70KCNH2ACVR1ERN1

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-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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed