SCHEMBL9874432

SCHEMBL9874432

CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)cc(-c2ccc(Cl)cc2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
ALDH1A1 P00352 8/20 0.56
MAPK1 P28482 1/20 0.56
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
ACHE P22303 2/20 0.49
CACNB4 O00305 1/20 0.49
CACNA1A O00555 1/20 0.49
CACNA1G O43497 1/20 0.49
CACNG3 O60359 1/20 0.49
CACNA1F O60840 1/20 0.49
CACNA1H O95180 1/20 0.49
BCHE P06276 1/20 0.49
CACNB3 P54284 1/20 0.49
CACNA2D1 P54289 1/20 0.49
CACNG7 P62955 1/20 0.49
CACNA1B Q00975 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNB1 Q02641 1/20 0.49
CACNG1 Q06432 1/20 0.49

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
SCHEMBL9872964 0.92 MAPT (0.60) MAPTALDH1A1MAPK1PDE4BPDE4D
SCHEMBL9874545 0.84 PRKCZ (0.54) MAPTALDH1A1MAPK1CACNA1DRAB9A
SCHEMBL9779333 0.84 MAPT (0.61) MAPTALDH1A1MAPK1PDE4BPDE4D
SCHEMBL9779315 0.82 MAPT (0.59) MAPTALDH1A1MAPK1PDE4BPDE4D
SCHEMBL2075279 0.82 MAPT (0.57) MAPTALDH1A1MAPK1PDE4BPDE4D
SCHEMBL10377726 0.81 ALDH1A1 (0.56) MAPTALDH1A1MAPK1PDE4DMEN1
SCHEMBL9873424 0.80 MAPT (0.56) MAPTALDH1A1MAPK1PDE4BPDE4D
SCHEMBL9779335 0.78 MAPT (0.56) MAPTALDH1A1MAPK1PDE4BPDE4D
SCHEMBL9874282 0.78 MAPT (0.55) MAPTALDH1A1PDE4BPDE4DRAB9A
Hydrochloric Acid SCHEMBL10376597 0.78 MAPT (0.55) MAPTALDH1A1MAPK1PDE4BPDE4D

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 6 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-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