SCHEMBL4057346

SCHEMBL4057346

O=C1NC(=S)SC1=Cc1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.82
MMP13 P45452 3/20 0.78
MMP3 P08254 2/20 0.78
GSK3B P49841 1/20 0.66
POLB P06746 2/20 0.64
MEN1 O00255 1/20 0.64
BLM P54132 1/20 0.64
KMT2A Q03164 1/20 0.64
NOD2 Q9HC29 1/20 0.64
CTSD P07339 2/20 0.64
NAT1 P18440 2/20 0.63
CA2 P00918 1/20 0.63
EPHX1 P07099 1/20 0.63
ADAMTS5 Q9UNA0 1/20 0.63
PTPN1 P18031 1/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
MGAM O43451 1/20 0.62
GAA P10253 1/20 0.62
SI P14410 1/20 0.62

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
SCHEMBL4057345 1.00 HPGD (0.82) HPGDMMP13MMP3GSK3BPOLB
SCHEMBL7969672 0.94 HPGD (0.82) HPGDMMP13MMP3GSK3BPOLB
SCHEMBL7969676 0.94 HPGD (0.82) HPGDMMP13MMP3GSK3BPOLB
SCHEMBL1300347 0.90 HPGD (1.00) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL1300345 0.90 HPGD (1.00) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL6866778 0.90 HPGD (1.00) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL4061047 0.89 NAT1 (0.70) HPGDMMP13MMP3POLBMEN1
SCHEMBL4061045 0.89 NAT1 (0.70) HPGDMMP13MMP3POLBMEN1
SCHEMBL12892045 0.88 MMP13 (1.00) HPGDMMP13MMP3POLBMEN1
SCHEMBL1248973 0.88 MMP13 (1.00) HPGDMMP13MMP3POLBMEN1

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
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed