SCHEMBL4057766

SCHEMBL4057766

CSC1=NC(=O)/C(=C/c2ccc(COc3ccc(C4CCCC4)cc3)cc2)S1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.57
MAX P61244 1/20 0.57
PTPN1 P18031 5/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 7/20 0.47
ALOX5 P09917 3/20 0.46
POLB P06746 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL4057769 1.00 MYC (0.57) MYCMAXPTPN1ALDH1A1MAPT
SCHEMBL4053037 0.99 MYC (0.56) MYCMAXPTPN1ALDH1A1MAPT
SCHEMBL4053039 0.99 MYC (0.56) MYCMAXPTPN1ALDH1A1MAPT
SCHEMBL4050895 0.90 MYC (0.53) MYCMAXPTPN1ALDH1A1MAPT
SCHEMBL4048268 0.88 MYC (0.57) MYCMAXPTPN1ALDH1A1MAPT
SCHEMBL4048271 0.88 MYC (0.57) MYCMAXPTPN1ALDH1A1MAPT
SCHEMBL4052863 0.85 MYC (0.46) MYCMAXPTPN1ALDH1A1MAPT
SCHEMBL4052867 0.85 MYC (0.46) MYCMAXPTPN1ALDH1A1MAPT
SCHEMBL4051807 0.84 MEN1 (0.49) MYCMAXMAPTHPGDPOLB
SCHEMBL4051802 0.84 MEN1 (0.49) MYCMAXMAPTHPGDPOLB

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