SCHEMBL3719954

SCHEMBL3719954

COc1ccc(Oc2ccc(/C(C)=N/O)nc2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 4/20 0.35
MAPK10 P53779 3/20 0.35
MAPK8 P45983 2/20 0.35
GAA P10253 3/20 0.35
EPHX2 P34913 1/20 0.33
LIMK1 P53667 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3720573 0.91 LIMK1 (0.33) MAPTRAB9AL3MBTL1MAPK10MAPK8
SCHEMBL3719051 0.87 MAPT (0.37) MAPTRAB9AL3MBTL1ARMAPK10
SCHEMBL3727500 0.85 MAPK10 (0.40) MAPTMAPK10MAPK8GAAEPHX2
SCHEMBL755015 0.81 MAPT (0.43) MAPTRAB9AL3MBTL1ARGAA
SCHEMBL2545560 0.81 MAPT (0.43) MAPTRAB9AL3MBTL1ARGAA
SCHEMBL3719026 0.77 MAPT (0.40) MAPTMAPK10MAPK8GAAEPHX2
SCHEMBL3730195 0.75 AR (0.48) AR
SCHEMBL3726016 0.74 L3MBTL1 (0.40) MAPTRAB9AL3MBTL1ARMAPK10
SCHEMBL3722579 0.74 L3MBTL1 (0.40) MAPTRAB9AL3MBTL1ARMAPK10
SCHEMBL3718921 0.74 L3MBTL1 (0.40) MAPTRAB9AL3MBTL1ARMAPK10

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-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed