SCHEMBL10777682

SCHEMBL10777682

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ TTR P02766 1/20 0.53
▸ PPOX P50336 1/20 0.53
▸ LMNA P02545 6/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ PYGL P06737 1/20 0.42
▸ MAPT P10636 7/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ AKR1B1 P15121 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
SCHEMBL10775589 0.92 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10772094 0.90 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10773049 0.89 TDP1 (0.53) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10772294 0.88 TDP1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10772302 0.86 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10857874 0.82 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775166 0.82 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10773683 0.81 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775168 0.81 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10773705 0.81 RAB9A (0.52) 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-4690708-A Herbicides derived from aryloxybenzenecarboxylic acid imides RHONE-POULENC AGROCHIMIE (FR) 1987-09-01 — — US disclosed
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