SCHEMBL9602893

SCHEMBL9602893

CN1CCN(Cc2nnc(-c3ccccc3)cc2-c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
STAT1 P42224 1/20 0.49
MET P08581 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC2A1 P11166 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
Hydrochloric Acid SCHEMBL9871479 0.81 ALDH1A1 (0.49) MAPTALDH1A1STAT1METL3MBTL1
SCHEMBL9873497 0.78 MAPT (0.50) MAPTALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL9874139 0.78 MAPT (0.50) MAPTALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL9874050 0.78 PDE4D (0.52) MAPTALDH1A1METL3MBTL1KDM4E
SCHEMBL10377568 0.73 MAPT (0.48) MAPTALDH1A1STAT1METL3MBTL1
SCHEMBL2716970 0.72 ALDH1A1 (0.73) MAPTALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL29838416 0.72 ALDH1A1 (0.49) MAPTALDH1A1STAT1METL3MBTL1
SCHEMBL22206151 0.72 ALDH1A1 (0.49) MAPTALDH1A1STAT1METL3MBTL1
SCHEMBL10379202 0.71 SLC2A1 (0.46) MAPTALDH1A1STAT1L3MBTL1SLC2A1
SCHEMBL9601452 0.70 PDE4D (0.52) MAPTALDH1A1METL3MBTL1KDM4E

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-0311322-B1 PYRIDINE OR PYRIDAZINE DERIVATIVES AS CARDIO-PROTECTIVE AGENTS AND FOR THE TREATMENT OF ISCHEMIC DISEASE, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
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-0311322-A2 Pyridine or pyridazine derivatives as cardio-protective agents and for the treatment of ischemic disease, and process for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP disclosed