SCHEMBL9693387

SCHEMBL9693387

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
ALDH1A1 P00352 3/20 0.63
LMNA P02545 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
PKM P14618 2/20 0.53
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
DPP4 P27487 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP3 P42574 1/20 0.48

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
SCHEMBL10352588 0.84 MAPT (0.54) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL930101 0.82 NPC1 (0.58) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9694403 0.82 NPC1 (0.59) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL4299530 0.82 MEN1 (0.61) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL4034758 0.80 NPC1 (0.62) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9977934 0.80 MAPT (0.63) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL14099477 0.78 MAPT (0.68) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9690882 0.78 MAPT (0.68) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13964086 0.77 NPC1 (0.62) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL12890441 0.77 KMT2A (0.52) MAPTALDH1A1LMNAMEN1KMT2A

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