SCHEMBL2645906

SCHEMBL2645906

CC(C)(C)c1ccc(Nc2cccc(Br)n2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
CASP3 P42574 1/20 0.50
HTT P42858 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
EPAS1 Q99814 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL28857804 0.79 MAPK1 (0.53) MAPK1NPC1RAB9AALDH1A1MEN1
SCHEMBL2647288 0.78 MEN1 (0.38) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2657924 0.78 AKR1C4 (0.51) ALDH1A1MEN1KMT2AMAPTAKR1C4
SCHEMBL1668098 0.78 AKR1B1 (0.53) MAPK1NPC1RAB9AALDH1A1GLA
SCHEMBL2657844 0.74 MAPT (0.43) MAPK1NPC1RAB9AALDH1A1HTT
SCHEMBL25768732 0.73 MEN1 (0.46) MAPK1NPC1RAB9AALDH1A1GLA
SCHEMBL31283045 0.72 ALDH1A1 (0.49) MAPK1NPC1RAB9AALDH1A1GLA
SCHEMBL26096440 0.72 ALDH1A1 (0.49) MAPK1NPC1RAB9AALDH1A1GLA
SCHEMBL12415764 0.71 AKR1B1 (0.49) MAPK1NPC1RAB9AALDH1A1GLA
SCHEMBL6222813 0.70 TSHR (0.55) MAPK1NPC1RAB9AALDH1A1GLA

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