SCHEMBL17913049

SCHEMBL17913049

COc1ccc(NS(=O)(=O)c2ccc(C(C)=NNc3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
POLB P06746 2/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
CASP6 P55212 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 4/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54

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
SCHEMBL17913101 1.00 GAA (0.56) GAAPOLBNPC1MAPTRAB9A
SCHEMBL17913043 0.94 ALDH1A1 (0.60) GAAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL17913042 0.94 ALDH1A1 (0.60) GAAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL17913083 0.89 PGR (0.61) GAAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL17913052 0.89 PGR (0.61) GAAMAPTTDP1HPGDSMN1; SMN2
SCHEMBL17913047 0.88 ALDH1A1 (0.70) GAAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL17913046 0.88 ALDH1A1 (0.70) GAAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL17913065 0.87 MAPT (0.63) GAAPOLBNPC1MAPTRAB9A
SCHEMBL17913090 0.86 ALDH1A1 (0.71) GAAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL17913072 0.85 PPIA (0.58) GAAPOLBMAPTALDH1A1HDAC4

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
WO-2016111658-A1 SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY IYIDOGAN AYSEGUL (TR) 2016-07-14 WO claimed
WO-2016111658-A1 SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY IYIDOGAN AYSEGUL (TR) 2016-07-14 WO disclosed