SCHEMBL4049181

SCHEMBL4049181

CSC1=NC(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)S1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.64
MAX P61244 1/20 0.64
PTPN1 P18031 4/20 0.62
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
ENPP2 Q13822 3/20 0.53
ALOX5 P09917 2/20 0.52
HPGD P15428 5/20 0.50
POLB P06746 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4049180 1.00 MYC (0.64) MYCMAXPTPN1MAPTALDH1A1
SCHEMBL4050936 0.91 MYC (0.61) MYCMAXPTPN1MAPTALDH1A1
SCHEMBL4050935 0.91 MYC (0.61) MYCMAXPTPN1MAPTALDH1A1
SCHEMBL4231354 0.91 MYC (0.67) MYCMAXPTPN1MAPTALDH1A1
SCHEMBL4231351 0.91 MYC (0.67) MYCMAXPTPN1MAPTALDH1A1
SCHEMBL4056061 0.89 MYC (0.81) MYCMAXPTPN1MAPTALDH1A1
SCHEMBL4058214 0.89 MYC (0.65) MYCMAXPTPN1MAPTALDH1A1
SCHEMBL4057966 0.89 MYC (0.65) MYCMAXPTPN1MAPTALDH1A1
SCHEMBL4054059 0.89 MYC (0.65) MYCMAXMAPTALDH1A1GAA
SCHEMBL4058211 0.89 MYC (0.65) MYCMAXPTPN1MAPTALDH1A1

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