SCHEMBL6426045

SCHEMBL6426045

Fc1ccccc1NC1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPT P10636 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.39
PSIP1 O75475 1/20 0.38
MAPK8 P45983 3/20 0.38
MAPK9 P45984 3/20 0.38
MAPK10 P53779 3/20 0.38
MAPK14 Q16539 3/20 0.38
ATM Q13315 1/20 0.38
IDO1 P14902 1/20 0.38
KDM1A O60341 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
SCHEMBL29740616 1.00 GAA (0.60) GAAKDM4EMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL1936838 0.98 GAA (0.58) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL27638728 0.91 KDM4E (0.58) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL377687 0.86 KDM4E (0.53) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL2094800 0.86 GAA (0.53) GAAKDM4EMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL6999773 0.83 GAA (0.50) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL6925611 0.83 KDM4E (0.61) GAAKDM4EMAPTKMT2APOLB
SCHEMBL3067731 0.83 GAA (0.45) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL19262329 0.81 GAA (0.47) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL15594524 0.81 KDM4E (0.47) GAAKDM4ENPC1RAB9AKMT2A

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
WO-2005007614-A1 MONOAMINE OXIDASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 6011 (US) 2005-01-27 WO disclosed