SCHEMBL10452504

SCHEMBL10452504

O=C(O)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ TTR P02766 1/20 0.69
▸ PPOX P50336 1/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ RAB9A P51151 1/20 0.53
▸ LMNA P02545 6/20 0.52
▸ LIPE Q05469 1/20 0.51
▸ FAAH O00519 1/20 0.51
▸ HTT P42858 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ XBP1 P17861 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ FFAR1 O14842 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL11455998 0.91 KMT2A (0.56) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10775218 0.91 SMN1; SMN2 (0.58) KMT2AMEN1TDP1TTRPPOX
Potassium Ion SCHEMBL11458215 0.91 KMT2A (0.56) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11455024 0.89 KMT2A (0.61) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10848703 0.87 RAB9A (0.56) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11153730 0.86 RAB9A (0.62) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11005079 0.85 TDP1 (0.54) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11005246 0.85 SMN1; SMN2 (0.51) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11220963 0.85 LMNA (0.52) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9438262 0.84 RAB9A (0.59) KMT2AMEN1TDP1TTRPPOX

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378193-A2 Herbicidal composition and the use thereof MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-07-18 — — EP disclosed
US-4556413-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 — — US disclosed
EP-0109575-A2 Benzoic-acid derivatives, process and means for its production F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-30 — — EP disclosed
US-4401460-A Herbicidal phenoxypyridines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-30 — — US disclosed
EP-0021613-B1 PYRIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM, HERBICIDAL COMPOSITIONS CONTAINING THEM AND METHODS OF KILLING PLANTS THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-06 — — EP disclosed
US-4308053-A PREEMERGENCE AND POSTEMERGENCE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-12-29 — — US disclosed
US-4235621-A 2-Substituted phenoxy-3-chloro-5-trifluoromethyl pyridine useful as a herbicide ISHIHARA SANGYO KAISHA LTD. (JP) 1980-11-25 — — US disclosed
Send feedback