SCHEMBL2646728

SCHEMBL2646728

O=[N+]([O-])c1cccc(-n2cnc3c([N+](=O)[O-])cccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.69
ALDH1A1 P00352 5/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.49
POLB P06746 1/20 0.47
HPN P05981 1/20 0.46
MAPT P10636 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
SCN2A Q99250 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL2646173 0.85 FGFR1 (0.50) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL2646166 0.85 FGFR1 (0.50) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL2308773 0.82 FGFR1 (1.00) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL29449347 0.82 FGFR1 (1.00) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL29830272 0.81 FGFR1 (0.62) FGFR1ALDH1A1HPGDHTTPOLB
SCHEMBL2647103 0.81 FGFR1 (0.65) FGFR1ALDH1A1HPGDHTTPOLB
SCHEMBL2646675 0.79 FGFR1 (0.63) FGFR1ALDH1A1HPGDPOLBHPN
SCHEMBL12818000 0.76 FGFR1 (0.48) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL2645883 0.75 KDM4E (0.42) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL6803506 0.74 FGFR1 (0.60) FGFR1ALDH1A1HPGDPOLBHPN

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
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP claimed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO claimed
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