SCHEMBL10777772

SCHEMBL10777772

CNC(=O)N=C(OC)c1cc(Oc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.50
▸ DHODH Q02127 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TTR P02766 1/20 0.39
▸ PPOX P50336 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ BRAF P15056 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PKM P14618 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL10772787 0.89 TDP1 (0.53) TDP1DHODHMEN1KMT2ATTR
SCHEMBL10777687 0.86 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10772093 0.85 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775842 0.85 TDP1 (0.49) TDP1DHODHMEN1KMT2ATTR
SCHEMBL10775079 0.84 TDP1 (0.59) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775113 0.83 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10772885 0.83 TDP1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775570 0.82 TDP1 (0.59) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10772944 0.81 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10772927 0.81 TDP1 (0.58) 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-4690708-A Herbicides derived from aryloxybenzenecarboxylic acid imides RHONE-POULENC AGROCHIMIE (FR) 1987-09-01 — — US disclosed
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