SCHEMBL9602759

SCHEMBL9602759

Cc1nc(-c2ccccc2)cc(-c2cccc([N+](=O)[O-])c2)c1C(=O)NCCN1CCSCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAPT P10636 7/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
VCP P55072 1/20 0.40
KDM5B Q9UGL1 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BAZ1A Q9NRL2 1/20 0.39

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
Fumaric Acid SCHEMBL9601937 0.96 POLB (0.41) POLBMAPTLMNAHTTDRD2
Fumaric Acid SCHEMBL9601924 0.96 POLB (0.41) POLBMAPTLMNAHTTDRD2
SCHEMBL9601411 0.90 LMNA (0.52) POLBMAPTLMNAHTTKDM5B
Hydrochloric Acid SCHEMBL9873583 0.89 LMNA (0.52) POLBMAPTLMNAHTTKDM5B
Hydrochloric Acid SCHEMBL9603062 0.89 LMNA (0.52) POLBMAPTLMNAHTTKDM5B
SCHEMBL9779635 0.86 LMNA (0.52) POLBMAPTLMNAHTTKDM5B
SCHEMBL10339856 0.86 SMN1; SMN2 (0.53) POLBMAPTLMNAHTTALDH1A1
SCHEMBL10375510 0.85 POLB (0.46) POLBMAPTLMNAHTTDRD2
Hydrochloric Acid SCHEMBL9779403 0.85 LMNA (0.52) POLBMAPTLMNAHTTKDM5B
SCHEMBL9779265 0.84 LMNA (0.50) POLBMAPTLMNAHTTALDH1A1

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 claimed
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-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
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