SCHEMBL14106930

SCHEMBL14106930

C=Cc1ccc(N2CCCNCC2)cc1N(N)S(=O)(=O)c1ccc2occc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
HTR6 P50406 10/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHEK1 O14757 1/20 0.31
MAPT P10636 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
SCHEMBL14106929 0.78 GHSR (0.38) HTR6ALDH1A1KDM4ELMNA
SCHEMBL14107045 0.76 HTR6 (0.50) HTR6
SCHEMBL14106941 0.72 HTR6 (0.54) HTR6MAPT
SCHEMBL14106926 0.71 ALDH1A1 (0.37) HTR6ALDH1A1KDM4ELMNACHRNB2
SCHEMBL5095016 0.71 HTR6 (0.53) HTR6
SCHEMBL5103843 0.70 CHRM1 (0.41) DYRK1AHTR6ALDH1A1KDM4ELMNA
SCHEMBL2548093 0.69 DYRK1A (0.58) DYRK1AHTR6
SCHEMBL29509780 0.69 DYRK1A (0.58) DYRK1AHTR6
SCHEMBL5095075 0.64 HTR6 (0.53) HTR6
SCHEMBL15515355 0.63 PHGDH (0.47) DYRK1AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008101247-A2 6 ' SUBSTITUTED INDOLE AND INDAZOLE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 WO disclosed