SCHEMBL10994712

SCHEMBL10994712

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ TTR P02766 1/20 0.70
▸ PPOX P50336 1/20 0.70
▸ FFAR1 O14842 3/20 0.45
▸ LMNA P02545 7/20 0.45
▸ MAPT P10636 6/20 0.45
▸ POLB P06746 2/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PYGL P06737 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 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
SCHEMBL9768703 0.89 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10776151 0.88 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10907642 0.88 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10993354 0.88 MEN1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775940 0.88 MEN1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11071008 0.88 MEN1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10991967 0.87 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10776157 0.87 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL25396918 0.87 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11482745 0.87 TDP1 (0.70) 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-4517010-A 2-Nitro-5(substituted-phenoxy) benzoyl derivatives as herbicides RHONE-POULENC INC. (US) 1985-05-14 — — US disclosed
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