SCHEMBL7745381

SCHEMBL7745381

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 5/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
S1PR4 O95977 1/20 0.38
POLB P06746 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) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7745258 0.81 MAPT (0.42) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6370147 0.76 LMNA (0.49) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL8887345 0.76 LMNA (0.49) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3144176 0.74 MAPT (0.39) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL11835695 0.74 MAPT (0.53) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7228772 0.74 TSHR (0.41) MAPTALDH1A1LMNANPSR1HTT
SCHEMBL10702301 0.74 MAPT (0.51) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL20116441 0.73 MAPT (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6152635 0.73 TSHR (0.43) MAPTALDH1A1MAPK1RECQLSMN1; SMN2

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