SCHEMBL9694050

SCHEMBL9694050

CCOC(=O)CCNc1ncccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.69
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MAPT P10636 4/20 0.58
MAPK1 P28482 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
DPP4 P27487 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL9694134 0.99 LMNA (0.67) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL1699215 0.88 LMNA (0.61) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL3670571 0.81 TOP2A (0.53) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL14099477 0.80 MAPT (0.68) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL9850800 0.80 TOP2A (0.49) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL9535747 0.80 LMNA (0.60) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL1809900 0.80 MAPT (0.58) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL16563162 0.78 LMNA (0.73) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL30132805 0.78 MAPT (0.52) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL5787352 0.78 MAPT (0.52) LMNANPC1RAB9AMAPTMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255217-B1 FUSED IMIDAZOHETEROCYCLIC COMPOUNDS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-01-22 EP disclosed
EP-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed
US-4948800-A MUSCLE RELAXANTS; ANTICONVULSANTS; ANXIOLYTIC AGENTS; 3-HYDROXYALKYL-PYRIDO(4,5-B OR-C)IMIDAZOLE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-14 US disclosed
US-4914109-A ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-04-03 US disclosed
US-4873251-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-10 US disclosed
US-4824951-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-04-25 US disclosed
US-4772600-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC A. H. ROBINS COMPANY, INC. (US) 1988-09-20 US disclosed
EP-0255217-A1 Fused imidazoheterocyclic compounds A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-02-03 EP disclosed