SCHEMBL9873497

SCHEMBL9873497

O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)nnc2CO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
TOP1 P11387 1/20 0.46
ELANE P08246 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SSTR1 P30872 1/20 0.44
SSTR2 P30874 1/20 0.44
SSTR3 P32745 1/20 0.44

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
SCHEMBL9874139 0.87 MAPT (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9602893 0.78 MAPT (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9879664 0.78 ALDH1A1 (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2082945 0.77 PDE4D (0.51) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL9874931 0.76 MAPT (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9873380 0.75 MAPT (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8353332 0.75 MEN1 (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2652561 0.72 GABRG2 (0.60) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10448854 0.72 PTGS2 (0.66) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29526232 0.71 TSHR (0.67) MAPTALDH1A1NPC1RAB9ASMN1; 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 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