SCHEMBL9602883

SCHEMBL9602883

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MOK Q9UQ07 1/20 0.42
VCP P55072 1/20 0.42
NQO2 P16083 1/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.41
CHEK1 O14757 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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 SCHEMBL9874809 0.87 TMEM97 (0.43) MAPTALDH1A1SMN1; SMN2GAAKDM4E
Fumaric Acid SCHEMBL9874804 0.87 TMEM97 (0.43) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL8946649 0.85 ATM (0.49) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL10375373 0.84 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL9874063 0.82 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL9602759 0.82 POLB (0.44) MAPTALDH1A1SMN1; SMN2GAATHRB
SCHEMBL9601411 0.82 LMNA (0.52) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
Hydrochloric Acid SCHEMBL9873583 0.81 LMNA (0.52) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
Hydrochloric Acid SCHEMBL9603062 0.81 LMNA (0.52) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL9874282 0.81 MAPT (0.55) MAPTALDH1A1SMN1; SMN2THRBTDP1

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
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