SCHEMBL10690045

SCHEMBL10690045

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ TTR P02766 1/20 0.63
▸ PPOX P50336 1/20 0.63
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ POLB P06746 3/20 0.40
▸ ALDH1A1 P00352 8/20 0.40
▸ FFAR1 O14842 2/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ XBP1 P17861 1/20 0.38

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
SCHEMBL5933816 0.92 MEN1 (0.74) KMT2AMEN1TDP1TTRPPOX
SCHEMBL30088466 0.92 MEN1 (0.74) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10688162 0.89 TDP1 (0.72) KMT2AMEN1TDP1TTRPPOX
SCHEMBL38860 0.86 MEN1 (0.68) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10685102 0.86 TDP1 (0.84) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10536730 0.85 MEN1 (0.67) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10786523 0.85 TDP1 (0.62) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9852597 0.85 TDP1 (0.78) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11062686 0.84 MEN1 (0.66) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10686499 0.84 TDP1 (0.52) KMT2AMEN1TDP1TTRPPOX

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-4743703-A Herbicidal 4-fluoroalkyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1988-05-10 — — US disclosed
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