SCHEMBL5743261

SCHEMBL5743261

Oc1cc[nH]c1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
SMPD3 Q9NY59 2/20 0.40
DPP4 P27487 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDR P35968 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4653136 0.77 TDO2 (0.43) MAPTTP53SMN1; SMN2DPP4ALDH1A1
SCHEMBL28603782 0.75 MAOA (0.40) MAPTTP53SMN1; SMN2DPP4ALDH1A1
SCHEMBL14027112 0.69 RPS6KB2 (0.53) MAPTRPS6KB2ERN1ALDH1A1GAA
SCHEMBL5891734 0.68 CHEK1 (0.43) MAPTERN1ALDH1A1GAAMEN1
SCHEMBL3545 0.68 L3MBTL1 (0.57) MAPTTP53SMN1; SMN2RPS6KB2DPP4
SCHEMBL16291133 0.68 L3MBTL1 (0.57) MAPTTP53SMN1; SMN2RPS6KB2DPP4
SCHEMBL1531075 0.67 KDM4E (0.38) MAPTTP53SMN1; SMN2DPP4RXFP1
SCHEMBL6067827 0.67 RPS6KB2 (0.47) MAPTTP53SMN1; SMN2RPS6KB2ERN1
SCHEMBL6281078 0.67 KDM4E (0.56) MAPTTP53SMN1; SMN2SMPD3RXFP1
SCHEMBL2436787 0.66 L3MBTL1 (0.50) MAPTTP53SMN1; SMN2RPS6KB2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1072266-B8 THIENYLAZOLYLALCOXYETHANAMINES, THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2006-10-18 EP disclosed
EP-1072266-B1 THIENYLAZOLYLALCOXYETHANAMINES, THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2005-08-24 EP disclosed
CN-1189170-C Thienylazolylalkoxyethylamines, their preparation and their use as medicaments ESTEVE LABOR DR (ES) 2005-02-16 CN disclosed
CN-1303283-A Thienylazolylal coxyethanamines, their preparation and their application as medicaments ESTEVE LABOR DR (ES) 2001-07-11 CN disclosed
WO-1999052525-A1 THIENYLAZOLYLALCOXYETHANAMINES, THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1999-10-21 WO disclosed