SCHEMBL3633430

SCHEMBL3633430

CCc1ccccc1N.CCc1ccccc1NC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 3/20 0.54
MAPK1 P28482 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
POLB P06746 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HPGD P15428 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL1644965 0.91 MAPK1 (0.59) ALDH1A1MAPTGAAMAPK1HDAC3
SCHEMBL29904721 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1HDAC3HDAC1HDAC2
SCHEMBL463597 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1HDAC3HDAC1HDAC2
SCHEMBL8631475 0.80 ALDH1A1 (0.55) ALDH1A1MAPTGAAMAPK1HDAC3
SCHEMBL29154642 0.80 KDM4E (0.60) ALDH1A1MAPTGAAHDAC3HDAC1
Hydrochloric Acid SCHEMBL11503558 0.80 HDAC1 (0.59) ALDH1A1MAPK1HDAC3HDAC1HDAC2
SCHEMBL1953684 0.80 MAPT (0.62) ALDH1A1MAPTGAAHDAC3HDAC1
SCHEMBL29581227 0.80 MAPT (0.62) ALDH1A1MAPTGAAHDAC3HDAC1
SCHEMBL9214730 0.79 MAPK1 (0.47) ALDH1A1GAAMAPK1HDAC3HDAC1
SCHEMBL28244511 0.79 ALDH1A1 (0.46) ALDH1A1MAPTGAAHDAC3HDAC1

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-2155674-A1 AMINOALKOXY ARYL SULFONAMIDE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2010-02-24 EP disclosed
WO-2008136017-A1 AMINOALKOXY ARYL SULFONAMIDE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2008-11-13 WO disclosed