SCHEMBL10775985

SCHEMBL10775985

COC(=NC#N)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.66
▸ KMT2A Q03164 5/20 0.66
▸ TDP1 Q9NUW8 4/20 0.66
▸ TTR P02766 1/20 0.66
▸ PPOX P50336 1/20 0.66
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ FFAR1 O14842 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL10775588 0.89 TDP1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10778152 0.86 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10775502 0.86 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10779086 0.86 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10777624 0.84 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10772108 0.84 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10772924 0.84 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.83 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.83 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.83 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX

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-4690708-A Herbicides derived from aryloxybenzenecarboxylic acid imides RHONE-POULENC AGROCHIMIE (FR) 1987-09-01 — — US disclosed
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