SCHEMBL9872592

SCHEMBL9872592

Cc1cc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.56
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 3/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDE4A P27815 3/20 0.47
PDE4C Q08493 2/20 0.47
USP2 O75604 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
PDE4B Q07343 1/20 0.44
SLC2A1 P11166 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH4 Q9H3N8 2/20 0.44

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
SCHEMBL9601452 0.85 PDE4D (0.52) PDE4DALDH1A1MAPTTHRBTDP1
SCHEMBL10375206 0.84 PDE4D (0.56) PDE4DALDH1A1MAPTMAPK1LMNA
SCHEMBL9872729 0.83 MAPT (0.59) PDE4DALDH1A1MAPTTHRBTDP1
Fumaric Acid SCHEMBL10375333 0.81 PDE4D (0.52) PDE4DALDH1A1MAPTMAPK1LMNA
Fumaric Acid SCHEMBL10375332 0.81 PDE4D (0.52) PDE4DALDH1A1MAPTMAPK1LMNA
SCHEMBL9873654 0.79 MAPT (0.55) PDE4DALDH1A1MAPTTHRBTDP1
SCHEMBL10375266 0.78 PDE4D (0.56) PDE4DALDH1A1MAPTMAPK1LMNA
SCHEMBL10377218 0.77 PDE4D (0.53) PDE4DALDH1A1MAPTMAPK1LMNA
SCHEMBL10613599 0.77 PDE4D (0.57) PDE4DALDH1A1MAPTTHRBMAPK1
SCHEMBL9874050 0.77 PDE4D (0.52) PDE4DALDH1A1MAPTMAPK1LMNA

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