SCHEMBL6564517

SCHEMBL6564517

CS(=O)(=O)c1ccc(CCNC(=S)NCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 3/20 0.60
ALDH1A1 P00352 6/20 0.59
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
CA12 O43570 4/20 0.59
LMNA P02545 3/20 0.59
CA9 Q16790 3/20 0.59
TAAR1 Q96RJ0 2/20 0.59
THRB P10828 1/20 0.59
DUSP3 P51452 1/20 0.59
PTPN11 Q06124 1/20 0.59
KMT2A Q03164 3/20 0.57
ALOX12 P18054 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL13764396 0.89 ALDH1A1 (0.76) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL4625331 0.84 GAA (0.51) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL6524477 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL21063806 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL4886418 0.80 CA1 (0.72) SMN1; SMN2ALDH1A1CA1CA2CA12
SCHEMBL6563007 0.80 EPHX2 (0.63)
SCHEMBL13764395 0.79 CA2 (0.78) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL158616 0.77 RAB9A (0.81) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL28766460 0.76 CA1 (0.49) SMN1; SMN2GAAALDH1A1CA1CA2
SCHEMBL13073726 0.76 PRMT1 (0.71) GAAALDH1A1CA1CA2TAAR1

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-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed