SCHEMBL9768735

SCHEMBL9768735

O=C(c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])N(CCO)CCO

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ TTR P02766 1/20 0.71
▸ PPOX P50336 1/20 0.71
▸ FFAR1 O14842 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PYGL P06737 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
SCHEMBL9768874 0.94 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11109595 0.91 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768682 0.89 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11322256 0.88 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL10539285 0.88 TDP1 (0.83) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL10539291 0.88 TDP1 (0.83) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379343 0.85 TDP1 (0.85) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10995107 0.84 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL10541446 0.84 TDP1 (0.88) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11277011 0.84 TDP1 (0.60) 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-5073188-A Herbicidal amides of 4-trifluoromethyl-3'-carboxyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1991-12-17 — — US disclosed
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