SCHEMBL4050935

SCHEMBL4050935

CSC1=NC(=O)/C(=C/c2ccc(OCCc3ccc(F)cc3)cc2)S1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.61
MAX P61244 1/20 0.61
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
PTPN1 P18031 2/20 0.51
ALOX5 P09917 7/20 0.50
HPGD P15428 5/20 0.48
MEN1 O00255 2/20 0.44
MITF O75030 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
ENPP2 Q13822 1/20 0.44
CISD1 Q9NZ45 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL4050936 1.00 MYC (0.61) MYCMAXMAPTALDH1A1GAA
SCHEMBL4049180 0.91 MYC (0.64) MYCMAXMAPTALDH1A1GAA
SCHEMBL4049181 0.91 MYC (0.64) MYCMAXMAPTALDH1A1GAA
SCHEMBL4056474 0.90 HPGD (0.61) MYCMAXMAPTALDH1A1GAA
SCHEMBL4056471 0.90 HPGD (0.61) MYCMAXMAPTALDH1A1GAA
SCHEMBL4050895 0.84 MYC (0.53) MYCMAXMAPTALDH1A1GAA
SCHEMBL4231354 0.84 MYC (0.67) MYCMAXMAPTALDH1A1GAA
SCHEMBL4231351 0.84 MYC (0.67) MYCMAXMAPTALDH1A1GAA
SCHEMBL4051796 0.83 MYC (0.66) MYCMAXMAPTALDH1A1GAA
SCHEMBL4051795 0.83 MYC (0.66) MYCMAXMAPTALDH1A1GAA

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