SCHEMBL2643778

SCHEMBL2643778

Nc1cc(-c2ccoc2)ccc1Nc1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
THRB P10828 2/20 0.54
HPGD P15428 2/20 0.54
CDC25B P30305 7/20 0.54
HDAC2 Q92769 1/20 0.54
CDC25A P30304 1/20 0.52
CDC25C P30307 1/20 0.52
GFER P55789 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SERPINE1 P05121 2/20 0.46
HDAC1 Q13547 1/20 0.46
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
AKR1C4 P17516 2/20 0.45

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
SCHEMBL27482947 0.93 GAA (0.47) GAAKDM4EHSD17B10MAPTALDH1A1
SCHEMBL2643971 0.82 AKR1C3 (0.63) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL2643656 0.80 HDAC2 (0.41) GAAKDM4EMAPTALDH1A1HDAC2
SCHEMBL2643659 0.80 HDAC2 (0.43) GAAKDM4EHSD17B10MAPTALDH1A1
SCHEMBL9071943 0.80 HDAC2 (0.41) GAAKDM4EHSD17B10MAPTALDH1A1
SCHEMBL10721092 0.78 GAA (0.68) GAAKDM4EHSD17B10MAPTALDH1A1
SCHEMBL27578439 0.78 CDC25B (0.42) GAAKDM4ECDC25BHDAC2CDC25A
SCHEMBL2643742 0.77 MAP4K4 (0.42) GAAKDM4EHSD17B10MAPTALDH1A1
SCHEMBL2643607 0.77 HDAC2 (0.39) GAAKDM4EHSD17B10MAPTALDH1A1
SCHEMBL5778525 0.77 HDAC2 (0.39) GAAKDM4EHSD17B10MAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed