SCHEMBL4059997

SCHEMBL4059997

Cc1ccc(COc2ccc(C=C3SC(=S)NC3=O)cc2)cc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.66
MMP3 P08254 1/20 0.66
CTSD P07339 4/20 0.65
HPGD P15428 2/20 0.59
PTPN1 P18031 1/20 0.59
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58
NOD2 Q9HC29 1/20 0.58
ADAMTS5 Q9UNA0 2/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MYC P01106 1/20 0.56
MAX P61244 1/20 0.56
CSNK2A2 P19784 1/20 0.56
CLK1 P49759 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
DYRK1A Q13627 1/20 0.56

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
SCHEMBL4059996 1.00 MMP13 (0.66) MMP13MMP3CTSDHPGDPTPN1
SCHEMBL4056382 0.85 HPGD (0.82) MMP13MMP3CTSDHPGDPTPN1
SCHEMBL4056380 0.85 HPGD (0.82) MMP13MMP3CTSDHPGDPTPN1
SCHEMBL1250159 0.85 PTPN1 (0.82) MMP13MMP3CTSDHPGDPTPN1
SCHEMBL1250155 0.85 PTPN1 (0.82) MMP13MMP3CTSDHPGDPTPN1
SCHEMBL4055509 0.83 MMP13 (0.76) MMP13MMP3CTSDHPGDPTPN1
SCHEMBL4055508 0.83 MMP13 (0.76) MMP13MMP3CTSDHPGDPTPN1
SCHEMBL7975038 0.83 MMP3 (0.75) MMP13MMP3CTSDHPGDPTPN1
SCHEMBL7975036 0.83 MMP3 (0.75) MMP13MMP3CTSDHPGDPTPN1
SCHEMBL4050762 0.82 HPGD (0.82) MMP13MMP3CTSDHPGDPTPN1

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