SCHEMBL4054059

SCHEMBL4054059

COc1ccc(COc2ccc(/C=C3\SC(SC)=NC3=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.65
MAX P61244 1/20 0.65
HPGD P15428 3/20 0.63
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
MEN1 O00255 1/20 0.57
MITF O75030 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
ALOX5 P09917 15/20 0.55

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
SCHEMBL4054061 1.00 MYC (0.65) MYCMAXHPGDALDH1A1MAPT
SCHEMBL4057962 0.91 MYC (0.65) MYCMAXHPGDALDH1A1MAPT
SCHEMBL4056062 0.91 MYC (0.81) MYCMAXHPGDALDH1A1MAPT
SCHEMBL4056061 0.91 MYC (0.81) MYCMAXHPGDALDH1A1MAPT
SCHEMBL4057966 0.91 MYC (0.65) MYCMAXHPGDALDH1A1MAPT
SCHEMBL4058214 0.91 MYC (0.65) MYCMAXHPGDALDH1A1MAPT
SCHEMBL4058211 0.91 MYC (0.65) MYCMAXHPGDALDH1A1MAPT
SCHEMBL4049181 0.89 MYC (0.64) MYCMAXHPGDALDH1A1MAPT
SCHEMBL4049180 0.89 MYC (0.64) MYCMAXHPGDALDH1A1MAPT
SCHEMBL4053862 0.89 ALOX5 (0.65) MYCMAXHPGDALDH1A1MAPT

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