SCHEMBL7493239

SCHEMBL7493239

CCOC(=S)C(C#N)=C(C)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 4/20 0.44
TAS2R38 P59533 1/20 0.42
GAA P10253 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 3/20 0.40
MAPK10 P53779 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7493827 0.85 MAPT (0.49) ALDH1A1SMN1; SMN2HPGDGAANPC1
SCHEMBL7488992 0.83 MAPT (0.49) ALDH1A1SMN1; SMN2HPGDGAAL3MBTL1
SCHEMBL11801755 0.83 MAPT (0.49) ALDH1A1SMN1; SMN2HPGDGAAL3MBTL1
SCHEMBL7496103 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDGAAMAPK10
SCHEMBL7493937 0.75 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHR
SCHEMBL4118522 0.74 MEN1 (0.37) ALDH1A1SMN1; SMN2RAB9AL3MBTL1MAPT
SCHEMBL7493230 0.71 HDAC3 (0.53) ALDH1A1SMN1; SMN2RAB9AL3MBTL1DHODH
SCHEMBL7493234 0.71 HDAC3 (0.53) ALDH1A1SMN1; SMN2RAB9AL3MBTL1DHODH
SCHEMBL465265 0.71 HPGD (0.73) ALDH1A1SMN1; SMN2HPGDTAS2R38GAA
SCHEMBL2086358 0.70 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760362-B1 DIAMINOMETHYLIDENE DERIVATIVE NISSHIN SEIFUN GROUP INC (JP) 2002-08-14 EP disclosed
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed