SCHEMBL2647288

SCHEMBL2647288

CC(C)(C)c1ccc(Nc2cccc(Br)n2)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KDR P35968 1/20 0.35
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
SYK P43405 1/20 0.32
HSD17B2 P37059 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2645906 0.78 MAPK1 (0.50) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL28857802 0.76 MAPK10 (0.47) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL6872769 0.74 GAA (0.50) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2657596 0.74 GAA (0.47) ALDH1A1GAAMAPTKDM4EGFER
SCHEMBL2646992 0.72 GAA (0.41) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2656692 0.70 MMP9 (0.38) MAPTKDRCLK2TDP1NPC1
SCHEMBL25768733 0.69 MAPK10 (0.42) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL23901098 0.69 TNIK (0.42) ALDH1A1GAAMAPTL3MBTL1KDR
SCHEMBL31143287 0.69 KDR (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14127502 0.69 KDR (0.51) MEN1KMT2AALDH1A1MAPTKDM4E

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