SCHEMBL6499329

SCHEMBL6499329

CCc1cc(Oc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LTA4H P09960 1/20 0.42
KIF11 P52732 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MITF O75030 1/20 0.40
HPGD P15428 1/20 0.40
MC4R P32245 1/20 0.40

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 0.84 MAPT (0.49) PTGESMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27939011 0.84 L3MBTL1 (0.52) PTGESMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16316322 0.82 MEN1 (0.44) MAPTSMN1; SMN2MEN1KMT2ATTR
SCHEMBL15540819 0.81 PPARG (0.47) PTGESMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31009354 0.80 PTGES (0.54) PTGESMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31009462 0.80 LMNA (0.52) PTGESMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31009391 0.79 MAPT (0.49) PTGESMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6567283 0.79 MEN1 (0.68) MAPTMEN1KMT2ATTRPPOX
SCHEMBL25245711 0.78 TDP1 (0.55) MAPTSMN1; SMN2MEN1KMT2ATTR
SCHEMBL2576415 0.78 ALDH1A1 (0.61) MAPTMEN1KMT2ALMNAALDH1A1

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