SCHEMBL3469253

SCHEMBL3469253

FC(F)(F)Oc1ccc(-c2cnc3c(NCc4ccco4)nccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 5/20 0.46
TRPC5 Q9UL62 1/20 0.43
FYN P06241 1/20 0.43
TTK P33981 7/20 0.42
RAB9A P51151 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP1B3 P54709 1/20 0.39
FXYD2 P54710 1/20 0.39
ATP1A4 Q13733 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3467556 0.84 EED (0.51) EEDTTKRAB9AKDM4ENPC1
SCHEMBL3469470 0.84 EED (0.51) EEDFYNTTKRAB9AKDM4E
SCHEMBL3467195 0.83 TTK (0.61) FYNTTKADORA3ATP1A1ATP1B1
SCHEMBL3466394 0.81 EED (0.51) EEDTTK
SCHEMBL3469554 0.79 TTK (0.64) TTKATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12409314 0.79 MAPK1 (0.50) EEDFYNTTKRAB9AKDM4E
SCHEMBL3469327 0.79 EED (0.48) EEDFYNTTKRAB9AADORA3
SCHEMBL3469812 0.78 ZAP70 (0.47) EEDFYNRAB9AKDM4ENPC1
SCHEMBL3469473 0.78 EED (0.49) EEDFYNTTKADORA3KDM4E
SCHEMBL5403304 0.78 FLT3 (0.50) TTKATP1A1ATP1B1ATP1A3ATP1B2

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-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