SCHEMBL3720573

SCHEMBL3720573

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.33
MAPK10 P53779 5/20 0.33
MAPK8 P45983 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
LIMK2 P53671 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3719954 0.91 MAPT (0.36) LIMK1MAPK10MAPK8L3MBTL1RAB9A
SCHEMBL3722579 0.87 L3MBTL1 (0.40) LIMK1MAPK10MAPK8L3MBTL1RAB9A
SCHEMBL3718921 0.87 L3MBTL1 (0.40) LIMK1MAPK10MAPK8L3MBTL1RAB9A
SCHEMBL3719051 0.79 MAPT (0.37) MAPK10MAPK8L3MBTL1RAB9AGAA
SCHEMBL3727500 0.78 MAPK10 (0.40) LIMK1MAPK10MAPK8GAATRPC6
SCHEMBL3722058 0.76 L3MBTL1 (0.40) LIMK1MAPK10MAPK8L3MBTL1RAB9A
SCHEMBL2545560 0.74 MAPT (0.43) L3MBTL1RAB9AGAAMAPTMAPK1
SCHEMBL755015 0.74 MAPT (0.43) L3MBTL1RAB9AGAAMAPTMAPK1
SCHEMBL3725866 0.72 P2RX3 (0.40) CYP2D6ADRA2AADRA1AP2RX3P2RX2
SCHEMBL3726016 0.72 L3MBTL1 (0.40) MAPK10MAPK8L3MBTL1RAB9AGAA

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