SCHEMBL4052876

SCHEMBL4052876

O=C1N=C(Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)SC1=Cc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.49
ENPP2 Q13822 3/20 0.43
ALOX5 P09917 2/20 0.42
AR P10275 1/20 0.41
HPGD P15428 4/20 0.38
MAOB P27338 2/20 0.38
CISD1 Q9NZ45 1/20 0.37
POLB P06746 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL4052873 1.00 PTPN1 (0.49) PTPN1ENPP2ALOX5ARHPGD
SCHEMBL4052918 0.92 ALOX5 (0.52) PTPN1ENPP2ALOX5ARHPGD
SCHEMBL4050515 0.92 HPGD (0.48) PTPN1ALOX5ARHPGDMAOB
SCHEMBL4050517 0.92 HPGD (0.48) PTPN1ALOX5ARHPGDMAOB
SCHEMBL4053340 0.92 PTPN1 (0.40) PTPN1ENPP2ALOX5HPGD
SCHEMBL4053337 0.92 PTPN1 (0.40) PTPN1ENPP2ALOX5HPGD
SCHEMBL4054943 0.92 HPGD (0.48) PTPN1ALOX5HPGD
SCHEMBL4052922 0.92 ALOX5 (0.52) PTPN1ENPP2ALOX5ARHPGD
SCHEMBL4054941 0.92 HPGD (0.48) PTPN1ALOX5HPGD
SCHEMBL4054034 0.92 ALOX5 (0.46) PTPN1ENPP2ALOX5ARHPGD

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