SCHEMBL2647103

SCHEMBL2647103

CC(=O)c1cccc2c1ncn2-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.65
ALDH1A1 P00352 6/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.45
HTT P42858 3/20 0.44
EGLN1 Q9GZT9 1/20 0.44
MAPT P10636 3/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
XBP1 P17861 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL29830272 0.88 FGFR1 (0.62) FGFR1ALDH1A1HPGDPOLBHTT
SCHEMBL2646728 0.81 FGFR1 (0.69) FGFR1ALDH1A1HPGDPOLBHTT
SCHEMBL29449347 0.79 FGFR1 (1.00) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL2308773 0.79 FGFR1 (1.00) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL29830224 0.75 PARP1 (0.49) FGFR1ALDH1A1HPGDHTTEGLN1
SCHEMBL2646675 0.74 FGFR1 (0.63) FGFR1ALDH1A1HPGDPOLBMAPT
SCHEMBL6803506 0.72 FGFR1 (0.60) FGFR1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL12191226 0.71 SMN1; SMN2 (0.51) FGFR1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6755687 0.70 FGFR1 (0.58) FGFR1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL9163594 0.70 FGFR1 (0.53) FGFR1ALDH1A1HPGDSMN1; SMN2POLB

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