SCHEMBL8946649

SCHEMBL8946649

Cc1nc(-c2ccccc2)cc(-c2cccc([N+](=O)[O-])c2)c1NC(=O)NCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 7/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
BAZ1A Q9NRL2 1/20 0.41
NPC1 O15118 1/20 0.41
VCP P55072 1/20 0.41
ABL1 P00519 1/20 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

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
SCHEMBL9602883 0.85 MAPT (0.47) ATMHTTPOLBMAPTALDH1A1
SCHEMBL8946591 0.84 ATM (0.49) ATMHTTPOLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL10375342 0.84 ATM (0.48) ATMHTTPOLBMAPTALDH1A1
SCHEMBL10338034 0.81 KMT2A (0.48) HTTMAPTALDH1A1THRBTDP1
SCHEMBL10375646 0.79 HTT (0.48) ATMHTTPOLBMAPTALDH1A1
SCHEMBL9874063 0.77 ALDH1A1 (0.49) ATMHTTPOLBMAPTALDH1A1
SCHEMBL10375645 0.76 POLB (0.45) ATMHTTPOLBMAPTALDH1A1
SCHEMBL9874282 0.73 MAPT (0.55) MAPTALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL10375373 0.73 ALDH1A1 (0.51) ATMPOLBMAPTALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL9874809 0.73 TMEM97 (0.43) HTTPOLBMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed
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
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