SCHEMBL8938814

SCHEMBL8938814

COc1ccccc1Nc1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.44
AKR1C4 P17516 2/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
AKR1B10 O60218 1/20 0.44
MAPK1 P28482 4/20 0.43
MAPT P10636 9/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL8938815 0.86 TDP1 (0.57) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8938797 0.84 CYP1A2 (0.41) AKR1C3AKR1C2MAPK1MAPTALDH1A1
SCHEMBL9332431 0.83 KMT2A (0.45) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9133278 0.80 TDP1 (0.48) MAPK1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9134954 0.79 TDP1 (0.50) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL8693593 0.79 MEN1 (0.50) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL8938801 0.78 MEN1 (0.40) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10986383 0.77 MEN1 (0.47) MAPK1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL10443753 0.77 MEN1 (0.42) MAPK1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL10673745 0.77 TDP1 (0.57) MAPK1MAPTALDH1A1SMN1; SMN2MEN1

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