SCHEMBL10696882

SCHEMBL10696882

COC(=O)CONC(=O)c1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.41
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TTR P02766 1/20 0.36
▸ PPOX P50336 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.34
▸ MAPT P10636 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL10698019 0.89 TDP1 (0.35) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11365028 0.84 TDP1 (0.39) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11213666 0.83 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9600761 0.81 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9602400 0.81 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9120594 0.81 MEN1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11190333 0.81 TDP1 (0.43) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8923180 0.81 SCN9A (0.43) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10430085 0.80 TDP1 (0.43) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11114839 0.80 TDP1 (0.45) 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
EP-0273432-A2 2-Nitro-5-(substituted phenoxy) benzohydroximate derivatives and their use as herbicide MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1988-07-06 — — EP disclosed
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