SCHEMBL9874063

SCHEMBL9874063

CN(C)CCNC(=O)c1nnc(-c2ccccc2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ATM Q13315 1/20 0.46
NPC1 O15118 1/20 0.43
HPGD P15428 2/20 0.43
CAMK2D Q13557 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
WNT1 P04628 1/20 0.41
DYRK1A Q13627 1/20 0.41
NQO2 P16083 1/20 0.41
CHEK1 O14757 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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 0.82 MAPT (0.47) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL9875028 0.79 LMNA (0.54) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL9879664 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTNPC1
SCHEMBL8946649 0.77 ATM (0.49) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL9873380 0.76 MAPT (0.57) ALDH1A1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL2748233 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTATMHPGD
SCHEMBL10375519 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL10375373 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL10376716 0.72 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL9874050 0.71 PDE4D (0.52) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1

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