SCHEMBL8938811

SCHEMBL8938811

COc1ccccc1Nc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
MAPK1 P28482 4/20 0.49
MAPT P10636 9/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
RECQL P46063 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45

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
SCHEMBL8938815 0.87 TDP1 (0.57) TDP1AKR1B10AKR1B1AKR1C4AKR1C3
Chlomethoxyfen SCHEMBL8538106 0.81 TDP1 (0.68) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
Chlomethoxyfen SCHEMBL38653 0.81 TDP1 (0.68) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL8938800 0.81 PNLIP (0.44) TDP1AKR1C3AKR1C2MAPK1MAPT
SCHEMBL28189382 0.81 TDP1 (0.63) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL10857754 0.79 TDP1 (0.62) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL9117636 0.79 MAPT (0.62) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL10881383 0.79 TDP1 (0.61) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL11135704 0.79 TDP1 (0.61) TDP1MAPK1MAPTLMNAMEN1
SCHEMBL9759376 0.79 TDP1 (0.61) TDP1MAPK1MAPTALDH1A1SMN1; 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
US-5484762-A Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 US disclosed