SCHEMBL2647667

SCHEMBL2647667

CC(=O)c1ccc(Nc2cccc(-c3cncnc3)c2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
NPC1 O15118 3/20 0.48
GFER P55789 2/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
THRB P10828 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PRKCI P41743 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
AKR1C3 P42330 7/20 0.47
AKR1C2 P52895 7/20 0.47
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C1 Q04828 1/20 0.45
ABL1 P00519 1/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL2643439 0.89 NPC1 (0.53) GAANPC1GFERKDM4EMAPT
SCHEMBL2650071 0.89 GAA (0.49) GAANPC1GFERKDM4EMAPT
SCHEMBL2650633 0.82 HCAR3 (0.52) GAANPC1MAPTALDH1A1HPGD
SCHEMBL2648414 0.79 CNR1 (0.49) GAANPC1GFERKDM4EMAPT
SCHEMBL2652430 0.79 AKR1C3 (0.45) GAANPC1GFERKDM4EMAPT
SCHEMBL2643153 0.79 CNR1 (0.40) GAANPC1GFERKDM4EMAPT
SCHEMBL9071956 0.78 AKR1C3 (0.69) GAANPC1GFERKDM4EMAPT
SCHEMBL2655100 0.78 GAA (0.46) GAANPC1GFERKDM4EMAPT
SCHEMBL7989959 0.78 GAA (0.77) GAANPC1GFERKDM4EMAPT
SCHEMBL2651013 0.77 PRKCI (0.55) GAANPC1GFERKDM4EMAPT

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-0821682-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA-A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2000-07-19 EP disclosed
US-5922725-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
EP-0821682-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033191-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed