SCHEMBL9768686

SCHEMBL9768686

O=C(NCCO)c1cc(Oc2ccc(C(F)(F)F)cc2Br)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ TTR P02766 1/20 0.55
▸ PPOX P50336 1/20 0.55
▸ LMNA P02545 7/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 8/20 0.47
▸ HTT P42858 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ PYGL P06737 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL11391302 0.90 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11071008 0.89 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11476317 0.86 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10857874 0.84 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11359539 0.83 TDP1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10857240 0.83 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10775940 0.81 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11113824 0.80 MEN1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11476315 0.80 TDP1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10777682 0.79 TDP1 (0.53) 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-5073188-A Herbicidal amides of 4-trifluoromethyl-3'-carboxyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1991-12-17 — — US disclosed
US-4937381-A Herbicidal amides of 4-trifluoromethyl-3'-carboxyl-4'-nitro-diphenyl ethers ROHM AND HAAS COMPANY (US) 1990-06-26 — — US disclosed
Send feedback