SCHEMBL9693399

SCHEMBL9693399

NC(=O)CNc1ncccc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MAPT P10636 7/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
PKM P14618 2/20 0.54
DPP4 P27487 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 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
SCHEMBL1666596 0.87 MAPT (0.62) LMNAMAPTNPC1RAB9APKM
SCHEMBL2256077 0.87 MAPT (0.62) LMNAMAPTNPC1RAB9APKM
SCHEMBL16563162 0.83 LMNA (0.73) LMNAMAPTNPC1RAB9APKM
SCHEMBL1699215 0.80 LMNA (0.61) LMNAMAPTNPC1RAB9APKM
SCHEMBL7369725 0.79 MAPT (0.68) LMNAMAPTNPC1RAB9APKM
SCHEMBL9690882 0.79 MAPT (0.68) LMNAMAPTNPC1RAB9APKM
SCHEMBL15156975 0.79 LMNA (0.60) LMNAMAPTNPC1RAB9APKM
SCHEMBL13964086 0.78 NPC1 (0.62) LMNAMAPTNPC1RAB9APKM
SCHEMBL4034758 0.78 NPC1 (0.62) LMNAMAPTNPC1RAB9APKM
SCHEMBL6657973 0.77 LMNA (0.68) LMNAMAPTNPC1RAB9APKM

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 7 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
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