SCHEMBL2644119

SCHEMBL2644119

Cc1nc(-c2cccc(Nc3ccc(I)cc3[N+](=O)[O-])c2)cs1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.50
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.46
CSNK2A1 P68400 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
EGFR P00533 3/20 0.41
PRMT6 Q96LA8 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
VCP P55072 1/20 0.40

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
SCHEMBL27354841 0.81 RECQL (0.53) HTTALDH1A1HPGDMAPTLMNA
SCHEMBL2644088 0.78 MEN1 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2643138 0.76 ALDH1A1 (0.43) ALDH1A1HPGDMAPTMEN1KMT2A
Fluoride SCHEMBL2643534 0.74 MAPT (0.42) ALDH1A1HPGDMAPTLMNAMEN1
Fluoride SCHEMBL27482913 0.73 L3MBTL1 (0.39) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7304083 0.73 L3MBTL1 (0.68) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL30480033 0.72 CSNK2A1 (0.61) ALDH1A1MAPTLMNACSNK2A1MEN1
SCHEMBL7093116 0.72 CSNK2A1 (0.61) ALDH1A1MAPTLMNACSNK2A1MEN1
SCHEMBL27359055 0.70 RECQL (0.62) HTTALDH1A1HPGDMAPTLMNA
SCHEMBL7819742 0.69 KDM4E (0.40) ALDH1A1HPGDMAPTL3MBTL1

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