SCHEMBL8932310

SCHEMBL8932310

COc1cnnc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 5/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 3/20 0.46
PPP1CA P62136 1/20 0.44
KMT2A Q03164 1/20 0.44
LRRK2 Q5S007 1/20 0.44
NTRK1 P04629 1/20 0.43
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4B Q07343 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8773209 0.82 MAPT (0.58) MAPTL3MBTL1MAPK1GAATDP1
SCHEMBL9005068 0.82 CYP11B1 (0.38) MAPTL3MBTL1MAPK1GAATDP1
SCHEMBL8932320 0.81 L3MBTL1 (0.47) MAPTL3MBTL1MAPK1GAATDP1
SCHEMBL9005032 0.80 RAB9A (0.42) MAPTL3MBTL1MAPK1GAATDP1
SCHEMBL10321794 0.79 LTA4H (0.48) MAPTL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL13791556 0.77 L3MBTL1 (0.65) MAPTL3MBTL1MAPK1GAATDP1
SCHEMBL8062097 0.77 MAPT (0.55) MAPTL3MBTL1MAPK1GAATDP1
SCHEMBL9004994 0.77 HDAC1 (0.39) MAPTL3MBTL1GAAALDH1A1KMT2A
SCHEMBL9005135 0.77 HDAC1 (0.39) MAPTL3MBTL1GAAALDH1A1KMT2A
SCHEMBL7107314 0.77 MAPT (0.52) MAPTL3MBTL1MAPK1GAATDP1

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-5559080-A 3-phenoxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-09-24 US disclosed