SCHEMBL8938815

SCHEMBL8938815

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TTR P02766 1/20 0.57
PPOX P50336 1/20 0.57
AKR1B1 P15121 2/20 0.51
AKR1C4 P17516 2/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
AKR1C1 Q04828 2/20 0.51
AKR1B10 O60218 1/20 0.48
MAPT P10636 7/20 0.48
LMNA P02545 4/20 0.48
POLB P06746 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL8938811 0.87 TDP1 (0.59) TDP1MEN1KMT2AAKR1B1AKR1C4
SCHEMBL8938814 0.86 AKR1B1 (0.44) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10597469 0.84 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10712751 0.84 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11049633 0.83 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8938808 0.83 MAPT (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL29938725 0.82 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11247283 0.82 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10847509 0.81 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10850280 0.81 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX

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