SCHEMBL10777767

SCHEMBL10777767

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ TTR P02766 1/20 0.59
▸ PPOX P50336 1/20 0.59
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PYGL P06737 1/20 0.37
▸ MRGPRX4 Q96LA9 2/20 0.37
▸ THRB P10828 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
SCHEMBL10772092 0.94 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10772937 0.90 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10773683 0.90 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10775887 0.88 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10777712 0.88 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10775166 0.88 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10772098 0.88 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10772905 0.87 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10775141 0.87 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10778098 0.86 MEN1 (0.57) 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 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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