SCHEMBL8932320

SCHEMBL8932320

CSc1cnnc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.45
MAPK1 P28482 3/20 0.42
LRRK2 Q5S007 1/20 0.42
RAB9A P51151 1/20 0.41
GAA P10253 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TEAD1 P28347 2/20 0.39
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 3/20 0.39
PPP1CA P62136 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL8507551 0.83 MAPT (0.52) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL8932310 0.81 MAPT (0.50) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL7106378 0.78 MAPT (0.47) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL2751994 0.75 MAPT (0.51) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL30308984 0.75 MAPT (0.51) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL7110920 0.74 MAPT (0.58) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL8773158 0.72 MAPT (0.65) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL29607042 0.72 MAPT (0.65) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL17772777 0.72 MAPT (0.61) L3MBTL1ALDH1A1POLBMAPTMAPK1
SCHEMBL8667374 0.71 MAPT (0.48) L3MBTL1ALDH1A1POLBMAPTMAPK1

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