SCHEMBL4050895

SCHEMBL4050895

CSC1=NC(=O)C(=Cc2ccc(OCCc3ccc(C4CCCCC4)cc3)cc2)S1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.53
MAX P61244 1/20 0.53
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX5 P09917 4/20 0.46
PTPN1 P18031 1/20 0.45
HPGD P15428 10/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CISD1 Q9NZ45 1/20 0.40

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
SCHEMBL4053039 0.91 MYC (0.56) MYCMAXALDH1A1GAAMAPT
SCHEMBL4053037 0.91 MYC (0.56) MYCMAXALDH1A1GAAMAPT
SCHEMBL4057766 0.90 MYC (0.57) MYCMAXALDH1A1GAAMAPT
SCHEMBL4057769 0.90 MYC (0.57) MYCMAXALDH1A1GAAMAPT
SCHEMBL4050936 0.84 MYC (0.61) MYCMAXALDH1A1GAAMAPT
SCHEMBL4050935 0.84 MYC (0.61) MYCMAXALDH1A1GAAMAPT
SCHEMBL4052863 0.83 MYC (0.46) MYCMAXALDH1A1GAAMAPT
SCHEMBL4052867 0.83 MYC (0.46) MYCMAXALDH1A1GAAMAPT
SCHEMBL4056471 0.83 HPGD (0.61) MYCMAXALDH1A1GAAMAPT
SCHEMBL4056474 0.83 HPGD (0.61) MYCMAXALDH1A1GAAMAPT

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