SCHEMBL14501366

SCHEMBL14501366

CNc1ccc(NC(=S)NC(C)=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PLK1 P53350 1/20 0.45
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAS2R38 P59533 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 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
SCHEMBL14872243 0.82 TAS2R38 (0.62) SMN1; SMN2GAAMAPTALDH1A1KDM4E
SCHEMBL11751583 0.76 ALDH1A1 (0.61) SMN1; SMN2GAAMAPTALDH1A1L3MBTL1
SCHEMBL13693551 0.74 MAPT (0.62) SMN1; SMN2GAAMAPTALDH1A1KDM4E
SCHEMBL14511451 0.71 TAS2R38 (0.75) EPHX1SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL16677195 0.70 SIRT1 (0.65) EPHX1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL12071790 0.69 ALDH1A1 (0.62) EPHX1SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL1488126 0.69 SMN1; SMN2 (0.70) SMN1; SMN2GAAMAPTALDH1A1KDM4E
SCHEMBL153943 0.68 TSHR (0.67) GAAMAPTALDH1A1THRBHPGD
SCHEMBL12070412 0.67 MAPT (0.69) EPHX1SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL24312034 0.67 MAPT (0.58) SMN1; SMN2GAAMAPTALDH1A1KDM4E

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
US-7214762-B1 Redox-active polymer and electrode comprising the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-05-08 US disclosed