SCHEMBL4054879

SCHEMBL4054879

CSC1=NC(=O)C(=Cc2ccc(COc3ccccc3)cc2)S1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.67
MAX P61244 1/20 0.67
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
ALOX5 P09917 4/20 0.58
HPGD P15428 6/20 0.54
PTPN1 P18031 3/20 0.54
POLB P06746 2/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
MMP3 P08254 1/20 0.50
MMP13 P45452 1/20 0.50
ENPP2 Q13822 2/20 0.49
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
AKR1B1 P15121 1/20 0.47

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
SCHEMBL4054876 1.00 MYC (0.67) MYCMAXALDH1A1MAPTGAA
SCHEMBL4053705 0.95 ALOX5 (0.64) MYCMAXALDH1A1MAPTGAA
SCHEMBL4053703 0.95 ALOX5 (0.64) MYCMAXALDH1A1MAPTGAA
SCHEMBL4054061 0.89 MYC (0.65) MYCMAXALDH1A1MAPTGAA
SCHEMBL4054059 0.89 MYC (0.65) MYCMAXALDH1A1MAPTGAA
SCHEMBL4058214 0.89 MYC (0.65) MYCMAXALDH1A1MAPTGAA
SCHEMBL4058211 0.89 MYC (0.65) MYCMAXALDH1A1MAPTGAA
SCHEMBL4057966 0.89 MYC (0.65) MYCMAXALDH1A1MAPTGAA
SCHEMBL4056061 0.89 MYC (0.81) MYCMAXALDH1A1MAPTGAA
SCHEMBL4057962 0.89 MYC (0.65) MYCMAXALDH1A1MAPTGAA

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