SCHEMBL6984178

SCHEMBL6984178

CCOC(=O)NC(=S)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 6/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
GAA P10253 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PKM P14618 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
NPC1 O15118 1/20 0.51
ALOX12 P18054 1/20 0.50
ABCC1 P33527 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL10688602 0.91 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7066252 0.88 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1011218 0.86 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL21597667 0.86 MEN1 (0.57) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL9023375 0.86 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10668920 0.84 RAB9A (0.64) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL13313846 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL23727080 0.84 EPHX1 (0.62) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL23727417 0.84 EPHX1 (0.62) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8609963 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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-1324998-A1 NOVEL AMINOTRIAZOLONE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-07-09 EP disclosed
WO-2002030923-A1 NOVEL AMINOTRIAZOLONE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2002-04-18 WO disclosed