SCHEMBL9879552

SCHEMBL9879552

O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.78
▸ MAPT P10636 5/20 0.78
▸ MAOA P21397 3/20 0.71
▸ TGM2 P21980 1/20 0.64
▸ LMNA P02545 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ CYP1B1 Q16678 2/20 0.62
▸ PTPN1 P18031 1/20 0.61
▸ PTPN12 Q05209 1/20 0.61
▸ PTPN22 Q9Y2R2 1/20 0.61
▸ HSP90AA1 P07900 3/20 0.60
▸ MITF O75030 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ HSPD1 P10809 1/20 0.59
▸ HSPE1 P61604 1/20 0.59
▸ TRPV1 Q8NER1 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ KMT2A Q03164 1/20 0.58

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
SCHEMBL10375223 1.00 MAOB (0.78) MAOBMAPTMAOATGM2LMNA
SCHEMBL9779399 0.88 MAPT (0.80) MAOBMAPTMAOATGM2LMNA
SCHEMBL30384809 0.88 MAPT (0.80) MAOBMAPTMAOATGM2LMNA
SCHEMBL29600935 0.88 MAPT (0.80) MAOBMAPTMAOATGM2LMNA
SCHEMBL9779404 0.88 MAPT (0.80) MAOBMAPTMAOATGM2LMNA
SCHEMBL3359800 0.87 MAPT (1.00) MAOBMAPTMAOATGM2LMNA
SCHEMBL3359803 0.87 MAPT (1.00) MAOBMAPTMAOATGM2LMNA
SCHEMBL15807305 0.86 MAPT (0.78) MAOBMAPTMAOATGM2LMNA
SCHEMBL1073090 0.86 MAPT (0.86) MAOBMAPTTGM2LMNAALDH1A1
SCHEMBL31441210 0.86 MAPT (0.86) MAOBMAPTTGM2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 — — US disclosed
EP-0228845-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 — — EP disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 — — US disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 — — US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 — — US disclosed
EP-0110442-B1 UREA COMPOUNDS, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION, HERBICIDAL AND/OR FUNGICIDAL COMPOSITIONS, AND METHOD OF COMBATING UNDESIRED PLANT GROWTH SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-04-06 — — EP disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 — — EP disclosed
EP-0110442-A2 Urea compounds, intermediates and process for their preparation, herbicidal and/or fungicidal compositions, and method of combating undesired plant growth SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-06-13 — — EP disclosed
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