SCHEMBL2646166

SCHEMBL2646166

Nc1cccc(-n2cnc3c([N+](=O)[O-])cccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.50
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE10A Q9Y233 1/20 0.40
HTT P42858 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL2646728 0.85 FGFR1 (0.69) FGFR1ALDH1A1HPGDMAPTHTT
SCHEMBL2646173 0.84 FGFR1 (0.50) FGFR1ALDH1A1HPGDMAPTPDE10A
SCHEMBL12818000 0.75 FGFR1 (0.48) FGFR1ALDH1A1HPGDMAPTPDE10A
SCHEMBL2645883 0.74 KDM4E (0.42) FGFR1ALDH1A1HPGDMAPTHTT
SCHEMBL2306019 0.72 FGFR1 (0.67) FGFR1ALDH1A1HTT
SCHEMBL2951988 0.72 PDE10A (0.47) FGFR1ALDH1A1MAPTPDE10AHTT
SCHEMBL28194847 0.72 PDE10A (0.47) FGFR1ALDH1A1MAPTPDE10AHTT
SCHEMBL7472806 0.70 PDE10A (0.45) FGFR1ALDH1A1MAPTPDE10AHTT
SCHEMBL29830272 0.69 FGFR1 (0.62) FGFR1ALDH1A1HPGDMAPTHTT
SCHEMBL15826054 0.69 PDE10A (0.44) ALDH1A1HPGDMAPTPDE10ANOS1

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
CN-1057088-C Benzimidazole compounds, their use and preparation NEUROSEARCH AS (DK) 2000-10-04 CN disclosed
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
CN-1099391-A Benzimidazole compounds, their use and preparation NEUROSEARCH AS (JP) 1995-03-01 CN disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP disclosed