SCHEMBL9873380

SCHEMBL9873380

CCOC(=O)c1nnc(-c2ccccc2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
ALDH1A1 P00352 6/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ELANE P08246 1/20 0.48
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
CACNA1F O60840 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46

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
SCHEMBL9872964 0.81 MAPT (0.60) MAPTALDH1A1MAPK1RAB9AMEN1
SCHEMBL9879664 0.81 ALDH1A1 (0.49) MAPTALDH1A1RAB9ASMN1; SMN2PDE4D
SCHEMBL9873424 0.78 MAPT (0.56) MAPTALDH1A1MAPK1RAB9AMEN1
SCHEMBL11703237 0.77 MAPT (0.59) MAPTALDH1A1MAPK1RAB9AMEN1
SCHEMBL9874063 0.76 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9874050 0.75 PDE4D (0.52) MAPTALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL9873497 0.75 MAPT (0.50) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL6432573 0.74 MAPT (0.65) MAPTALDH1A1MAPK1RAB9AMEN1
SCHEMBL6437170 0.74 MAPT (0.56) MAPTALDH1A1MAPK1RAB9AMEN1
SCHEMBL9779315 0.74 MAPT (0.59) MAPTALDH1A1MAPK1RAB9AMEN1

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