SCHEMBL9872402

SCHEMBL9872402

CCOC(=O)C(C(CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MGAM O43451 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
KMO O15229 1/20 0.46
LMNA P02545 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX12 P18054 1/20 0.44
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.42
AGTR1 P30556 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
SCHEMBL18551762 0.93 HTT (0.50) GAAMGAMSIMGAM2MEN1
SCHEMBL18551876 0.90 KMT2A (0.57) MEN1KMT2ANPC1LMNACYP2C9
SCHEMBL18551755 0.84 HTT (0.53) GAAMGAMSIMGAM2MEN1
SCHEMBL12971324 0.83 NPC1 (0.52) GAAMEN1KMT2ANPC1LMNA
SCHEMBL1567073 0.81 L3MBTL1 (0.56) GAAMGAMSIMGAM2MEN1
SCHEMBL2141039 0.81 MGAM (0.49) GAAMGAMSIMGAM2MEN1
SCHEMBL9875057 0.81 GAA (0.51) GAAMGAMSIMGAM2MEN1
SCHEMBL4430093 0.79 KMO (0.57) GAAMGAMSIMGAM2MEN1
SCHEMBL4430088 0.79 KMO (0.57) GAAMGAMSIMGAM2MEN1
SCHEMBL18551753 0.79 ALDH1A1 (0.41) GAAMEN1KMT2ANPC1LMNA

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