SCHEMBL6499332

SCHEMBL6499332

Cc1cc(Oc2cccc(C(F)(F)F)c2)ccc1C[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LTA4H P09960 1/20 0.41
KIF11 P52732 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
PTGES O14684 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKD3 O94806 1/20 0.39
S1PR1 P21453 1/20 0.39
CDK7 P50613 1/20 0.39
JAK3 P52333 1/20 0.39
TNK2 Q07912 1/20 0.39

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
SCHEMBL6567167 0.81 MAPT (0.49) MAPTALDH1A1KDM4EKIF11NPSR1
SCHEMBL883737 0.80 PPARG (0.50) MAPTPPARGPPARDPPARAALDH1A1
SCHEMBL6491051 0.79 MAPT (0.56) MAPTALDH1A1KDM4EKIF11NPSR1
SCHEMBL21701049 0.76 ALDH1A1 (0.49) MAPTALDH1A1KDM4ELTA4HKIF11
SCHEMBL6499329 0.76 PTGES (0.48) MAPTALDH1A1LTA4HKIF11MEN1
SCHEMBL2576415 0.74 ALDH1A1 (0.61) MAPTALDH1A1KDM4ELTA4HKIF11
SCHEMBL24155484 0.73 MAPT (0.50) MAPTALDH1A1KDM4ELTA4HKIF11
SCHEMBL24168437 0.73 MAPT (0.54) MAPTALDH1A1KDM4ELTA4HKIF11
SCHEMBL27579381 0.72 LTA4H (0.59) MAPTALDH1A1LTA4HKIF11NPSR1
SCHEMBL9798371 0.72 LTA4H (0.54) MAPTALDH1A1KDM4ELTA4HKIF11

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-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US disclosed