SCHEMBL10850417

SCHEMBL10850417

O=[N+]([O-])c1ccc(Oc2ccc(OC(F)F)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ TTR P02766 2/20 0.53
▸ PPOX P50336 1/20 0.53
▸ PDE7A Q13946 2/20 0.46
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HSPB1 P04792 1/20 0.41
▸ MERTK Q12866 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
SCHEMBL11282021 0.88 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10860908 0.83 TDP1 (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10851196 0.83 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10454751 0.82 MEN1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2080670 0.81 VCAM1 (0.51) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL10858973 0.81 TDP1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11272095 0.81 TDP1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8694365 0.80 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11065023 0.79 MEN1 (0.46) MEN1KMT2APDE7AMAPTSMN1; SMN2
SCHEMBL10939126 0.79 TDP1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — US disclosed
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 — — EP disclosed
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