SCHEMBL11068222

SCHEMBL11068222

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ TTR P02766 1/20 0.72
▸ PPOX P50336 1/20 0.72
▸ FFAR1 O14842 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ PYGL P06737 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL10696902 0.90 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11109595 0.89 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9783827 0.87 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10995107 0.87 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768874 0.86 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11110597 0.86 TDP1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10907643 0.86 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768682 0.86 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9755520 0.85 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL3228873 0.84 TDP1 (1.00) 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 2 patents. 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
EP-0034883-A1 2-Nitro-5-(substituted-phenoxy) benzoyl derivatives as herbicides RHONE-POULENC INC. (US) 1981-09-02 — — EP disclosed
Send feedback