SCHEMBL13409338

SCHEMBL13409338

COc1ccc2c(OC(C)C)nc(-c3ccccc3N(C)C)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ATM Q13315 2/20 0.41
BTK Q06187 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CRHR1 P34998 1/20 0.35
NQO2 P16083 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACP1 P24666 1/20 0.34
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
INSR P06213 1/20 0.33

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
SCHEMBL8273091 0.89 RAB9A (0.41) MAPTBTKNPC1RAB9ANQO2
SCHEMBL1536628 0.81 RAB9A (0.40) MAPTNPC1RAB9ANQO2CYP1A2
SCHEMBL1536535 0.81 RAB9A (0.46) MAPTNPC1RAB9ANQO2CYP1A2
SCHEMBL8353207 0.81 RAB9A (0.40) MAPTATMNPC1RAB9ANQO2
SCHEMBL13409376 0.80 MAPT (0.55) MAPTATMBTKNPC1RAB9A
SCHEMBL13409339 0.79 APP (0.44) MAPTATMNPC1RAB9AACP1
SCHEMBL13409378 0.78 MAPT (0.46) MAPTATMBTKNPC1RAB9A
SCHEMBL13409349 0.77 TRPM8 (0.49) MAPTATMBTKNPC1RAB9A
SCHEMBL13409341 0.76 MAPT (0.36) MAPTATMBTKNPC1RAB9A
SCHEMBL13409379 0.74 PDGFRB (0.43) MAPTATMNPC1RAB9ATSHR

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