SCHEMBL4051807

SCHEMBL4051807

COc1cc(C=C2SC(SC)=NC2=O)ccc1OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ADAMTS5 Q9UNA0 2/20 0.49
CISD1 Q9NZ45 2/20 0.49
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.45
ENPP2 Q13822 2/20 0.44
XDH P47989 1/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL4051802 1.00 MEN1 (0.49) MEN1KMT2AADAMTS5CISD1MYC
SCHEMBL4053039 0.85 MYC (0.56) MEN1KMT2AMYCMAXPOLB
SCHEMBL4053037 0.85 MYC (0.56) MEN1KMT2AMYCMAXPOLB
SCHEMBL4056856 0.84 ENPP2 (0.58) MEN1KMT2AADAMTS5CISD1MYC
SCHEMBL4057769 0.84 MYC (0.57) MEN1KMT2AMYCMAXPOLB
SCHEMBL4057766 0.84 MYC (0.57) MEN1KMT2AMYCMAXPOLB
SCHEMBL4056858 0.84 ENPP2 (0.58) MEN1KMT2AADAMTS5CISD1MYC
SCHEMBL4057761 0.81 ADAMTS5 (0.75) MEN1KMT2AADAMTS5CISD1HPGD
SCHEMBL4057759 0.81 ADAMTS5 (0.75) MEN1KMT2AADAMTS5CISD1HPGD
SCHEMBL4054938 0.79 KMT2A (0.40) MEN1KMT2AADAMTS5CISD1POLB

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