SCHEMBL9210909

SCHEMBL9210909

NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.61
MAPT P10636 8/20 0.58
ALDH1A1 P00352 1/20 0.56
EPAS1 Q99814 1/20 0.56
GAA P10253 1/20 0.56
KCNMA1 Q12791 1/20 0.54
PKM P14618 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AKR1B1 P15121 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 2/20 0.52

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
SCHEMBL28301176 0.85 MAPK1 (0.62) MAPK1MAPTALDH1A1EPAS1GAA
SCHEMBL28300949 0.83 MAPK1 (0.61) MAPK1MAPTALDH1A1EPAS1GAA
SCHEMBL4490148 0.83 MAPK1 (0.61) MAPK1MAPTALDH1A1EPAS1GAA
SCHEMBL8430862 0.83 MAPK1 (0.61) MAPK1MAPTALDH1A1EPAS1GAA
SCHEMBL116971 0.83 MAPK1 (0.65) MAPK1MAPTALDH1A1EPAS1GAA
SCHEMBL28299521 0.83 MAPK1 (0.61) MAPK1MAPTALDH1A1EPAS1GAA
SCHEMBL11459145 0.81 KCNMA1 (0.67) MAPK1MAPTALDH1A1EPAS1GAA
SCHEMBL11392520 0.81 MAPK1 (0.84) MAPK1MAPTALDH1A1EPAS1GAA
SCHEMBL116538 0.81 MAPK1 (0.62) MAPK1MAPTALDH1A1EPAS1GAA
SCHEMBL11582855 0.81 MAPK1 (0.58) MAPK1MAPTALDH1A1EPAS1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001019-A1 Phenylhydrazones, their use in insecticidal compositions and methods for their preparation COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1979-03-07 EP claimed
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
CN-1025582-C Azole pesticides SCHERING AGROCHEMICALS LTD (GB) 1994-08-10 CN disclosed
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
EP-0324988-B1 4-CHLOR-3-SULFAMOYL BENZOIC ACID HYDRAZIDES, PROCESS FOR THEIR PREPARATION, MEDICINES CONTAINING THEM AND USE OF THESE COMPOUNDS IN THE PREPARATION OF DIURETIC AND SALT REDUCING ACTIVITY MEDICINES CHINOIN GYOGYSZER ES VEGYESZET (HU) 1992-04-29 EP disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed
CN-1049341-A AZOLE PESTICIDES SCHERING AGROCHEMICALS LTD (GB) 1991-02-20 CN disclosed
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed
US-4916149-A Diuretic and saluretic 4-chloro-3-sulfamoylbenzoic acid hydrazides CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1990-04-10 US disclosed
CN-1037336-A Novel 4-chloro-3-sulphonamide benzoyl hydrazine-preparation method contains the drug component and the medical use thereof of this compound CHINOIN GYOGYSZER ES VEGYESZET (HU) 1989-11-22 CN disclosed
EP-0324988-A1 4-Chlor-3-sulfamoyl benzoic acid hydrazides, process for their preparation, medicines containing them and use of these compounds in the preparation of diuretic and salt reducing activity medicines CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-07-26 EP disclosed
EP-0034945-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-08-07 EP disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US disclosed
EP-0034945-A2 N-phenylpyrazole derivatives MAY & BAKER LIMITED (GB) 1981-09-02 EP disclosed