SCHEMBL7745258

SCHEMBL7745258

CCOc1c[c]c(F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 4/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL5618570 0.83 MAPT (0.43) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL7745381 0.81 MAPT (0.42) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL8405075 0.76 MAPT (0.48) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL3279026 0.75 GRIN2D (0.37) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL15063743 0.74 KDM1A (0.39) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL11835695 0.74 MAPT (0.53) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL1136125 0.74 LMNA (0.54) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL10702301 0.74 MAPT (0.51) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL310334 0.73 MAPT (0.46) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL311208 0.73 MAPT (0.46) MAPTALDH1A1LMNAGAAMEN1

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-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed