SCHEMBL8938847

SCHEMBL8938847

CCCCCOc1ccc([N+](=O)[O-])c(Nc2ccc(OC)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.51
IDO1 P14902 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
ALDH3A1 P30838 1/20 0.49
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ALPG P10696 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL7719673 0.88 FBP1 (0.48) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL8886349 0.88 MAPT (0.59) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL7714467 0.85 MAPT (0.56) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL2324511 0.85 MAPT (0.54) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL4930929 0.85 MAPT (0.68) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL4927427 0.82 MAPT (0.61) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL7721684 0.82 MAPT (0.52) MAPTTDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL15989071 0.81 MAPT (0.53) MAPTALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL2213275 0.79 MAPT (0.46) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL8938907 0.79 RAB9A (0.51) MAPTTDP1ALDH1A1MAPK1L3MBTL1

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-5484762-A Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 US disclosed