SCHEMBL5722233

SCHEMBL5722233

CC(C)(C)c1nc2cc(CNS(=O)(=O)c3ccccc3)ccc2n1CCC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.59
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.46
GNRHR P30968 3/20 0.45
CNR1 P21554 3/20 0.42

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
SCHEMBL5722182 0.91 CNR2 (0.69) CNR2KCNH2CNR1
SCHEMBL5722219 0.83 CNR2 (0.65) CNR2CNR1
SCHEMBL5722174 0.80 GNRHR (0.54) CNR2MEN1ALDH1A1MAPTTHRB
SCHEMBL4966450 0.80 CNR2 (0.62) CNR2KCNH2CNR1
SCHEMBL4965771 0.79 CNR2 (0.72) CNR2KCNH2CNR1
SCHEMBL5722202 0.78 CNR2 (0.57) CNR2KCNH2CNR1
SCHEMBL5968610 0.77 POLB (0.56) CNR2MEN1ALDH1A1MAPTTHRB
SCHEMBL4965990 0.76 CNR2 (0.68) CNR2KCNH2CNR1
SCHEMBL5722228 0.74 CNR2 (0.55) CNR2KCNH2
SCHEMBL4966071 0.74 CNR2 (0.64) CNR2KCNH2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP claimed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO claimed