SCHEMBL2646675

SCHEMBL2646675

O=[N+]([O-])c1cccc(-n2cnc3c4ccccc4ccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.63
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
SCN2A Q99250 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
HPN P05981 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL5469956 0.79 FGFR1 (0.57) FGFR1
SCHEMBL2646728 0.79 FGFR1 (0.69) FGFR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL2308773 0.78 FGFR1 (1.00) FGFR1ALDH1A1HPGDMAPT
SCHEMBL29449347 0.78 FGFR1 (1.00) FGFR1ALDH1A1HPGDMAPT
SCHEMBL2647103 0.74 FGFR1 (0.65) FGFR1ALDH1A1HPGDMAPTPOLB
SCHEMBL29830272 0.74 FGFR1 (0.62) FGFR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL30469425 0.73 FGFR1 (0.53) FGFR1
SCHEMBL6303330 0.72 FGFR1 (0.58) FGFR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29824590 0.72 FGFR1 (0.58) FGFR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3342620 0.70 ALDH1A1 (1.00) FGFR1ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP disclosed