SCHEMBL9879664

SCHEMBL9879664

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.48
CASP1 P29466 2/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
PKM P14618 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CDC7 O00311 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 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
SCHEMBL9873380 0.81 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9874050 0.79 PDE4D (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7256623 0.78 BCAT2 (0.57) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9873497 0.78 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9874063 0.77 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2NPC1GAA
SCHEMBL27704588 0.76 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9874139 0.75 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10989562 0.72 GRM2 (0.58) ALDH1A1MAPTTDP1
SCHEMBL6279587 0.71 PRSS1 (0.55) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2652561 0.71 GABRG2 (0.60) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 5 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