SCHEMBL13409376

SCHEMBL13409376

COc1ccc2c(OC(C)C)nc(-c3ccccc3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ATM Q13315 2/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACP1 P24666 1/20 0.47
ACACA Q13085 1/20 0.47
TSHR P16473 1/20 0.46
TACR3 P29371 5/20 0.46
SQOR Q9Y6N5 1/20 0.44
PLA2G2A P14555 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
BTK Q06187 1/20 0.43
NQO2 P16083 1/20 0.43

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
SCHEMBL13409379 0.88 PDGFRB (0.43) MAPTATMNPC1RAB9AKDM4E
SCHEMBL8300158 0.87 NPC1 (0.59) MAPTATMNPC1RAB9AKDM4E
SCHEMBL13409348 0.86 NPC1 (0.58) MAPTATMNPC1RAB9AKDM4E
SCHEMBL13409314 0.85 ACP1 (0.54) MAPTATMNPC1RAB9AKDM4E
SCHEMBL13409339 0.85 APP (0.44) MAPTATMNPC1RAB9AKDM4E
SCHEMBL13409378 0.84 MAPT (0.46) MAPTATMNPC1RAB9AKDM4E
SCHEMBL13409349 0.83 TRPM8 (0.49) MAPTATMNPC1RAB9ASMN1; SMN2
SCHEMBL13409327 0.83 BTK (0.59) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL13409335 0.82 MAPT (0.40) MAPTATMNPC1RAB9AKDM4E
SCHEMBL13409345 0.82 MAPT (0.42) MAPTATMNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed