SCHEMBL2646992

SCHEMBL2646992

CC(C)(C)c1ccc(Nc2ccc(Br)nc2)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GFER P55789 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
GAK O14976 1/20 0.35
RIPK2 O43353 1/20 0.35
COQ8A Q8NI60 1/20 0.35
NLK Q9UBE8 1/20 0.35
EGFR P00533 2/20 0.34
SLC2A1 P11166 1/20 0.34
FGFR2 P21802 3/20 0.33
MAPK14 Q16539 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL6872769 0.74 GAA (0.50) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL29581536 0.74 MAPT (0.55) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL2647288 0.72 MEN1 (0.38) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL12600384 0.72 MEN1 (0.55) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL12601176 0.69 PIK3CA (0.51) MEN1KMT2AL3MBTL1EGFRNPC1
SCHEMBL13010773 0.69 TSHR (0.39) ALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL824204 0.68 ALDH1A1 (0.53) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL21416946 0.68 ALDH1A1 (0.53) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL12415761 0.68 GAA (0.46) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL24126841 0.67 AKR1C3 (0.47) MAPTMEN1ALDH1A1KMT2AGAK

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