SCHEMBL4054941

SCHEMBL4054941

COc1ccc(COc2ccc(/C=C3\SC(Nc4ccc(NS(=O)(=O)C(F)(F)F)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ALOX5 P09917 14/20 0.43
PTPN1 P18031 2/20 0.42
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 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
SCHEMBL4054943 1.00 HPGD (0.48) HPGDALOX5PTPN1MEN1MITF
SCHEMBL4050515 0.93 HPGD (0.48) HPGDALOX5PTPN1
SCHEMBL4050517 0.93 HPGD (0.48) HPGDALOX5PTPN1
SCHEMBL4052876 0.92 PTPN1 (0.49) HPGDALOX5PTPN1
SCHEMBL4052873 0.92 PTPN1 (0.49) HPGDALOX5PTPN1
SCHEMBL4058070 0.91 PTPN1 (0.45) HPGDALOX5PTPN1ALDH1A1MAPT
SCHEMBL4058075 0.91 PTPN1 (0.45) HPGDALOX5PTPN1ALDH1A1MAPT
SCHEMBL4052918 0.91 ALOX5 (0.52) HPGDALOX5PTPN1MEN1MITF
SCHEMBL4052922 0.91 ALOX5 (0.52) HPGDALOX5PTPN1MEN1MITF
SCHEMBL4054034 0.91 ALOX5 (0.46) HPGDALOX5PTPN1RAB9A

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 2 patents. 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 claimed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed