SCHEMBL17913096

SCHEMBL17913096

CC(=NNC(=S)Nc1cc(C)cs1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALOX12 P18054 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 1/20 0.51
CYP3A4 P08684 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.48
PHGDH O43175 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AVPR2 P30518 1/20 0.43
GPR27 Q9NS67 1/20 0.43

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
SCHEMBL17913041 0.85 ALDH1A1 (0.57) MAPTMEN1KMT2AALOX12CYP1A2
SCHEMBL17913038 0.79 FAAH (0.55) MAPTMEN1KMT2AALOX12CYP1A2
SCHEMBL17913039 0.79 MEN1 (0.56) MAPTMEN1KMT2AALOX12CYP1A2
SCHEMBL17913070 0.78 PPIA (0.59) MAPTMEN1KMT2AALOX12CYP1A2
SCHEMBL17913097 0.78 PPIA (0.59) MAPTMEN1KMT2AALOX12CYP1A2
SCHEMBL17913095 0.78 ALDH1A1 (0.56) MAPTMEN1KMT2AALOX12CYP1A2
SCHEMBL17913091 0.76 TDP1 (0.67) MAPTMEN1KMT2AALOX12NPC1
SCHEMBL17913093 0.75 HPGD (0.52) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL17913048 0.74 ALOX12 (0.67) MAPTMEN1KMT2AALOX12TDP1
SCHEMBL17913088 0.72 PPIA (0.64) MAPTMEN1KMT2AALOX12TDP1

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