SCHEMBL4055053

SCHEMBL4055053

CC(C)C(O)c1ccc(COc2ccc(/C=C3\SC(Nc4ccc(NS(=O)(=O)C(F)(F)F)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.39
ALOX5 P09917 5/20 0.38
HPGD P15428 6/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
POLB P06746 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NPY5R Q15761 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL4059813 0.93 ALOX5 (0.41) PTPN1ALOX5HPGDCISD1POLB
SCHEMBL4050710 0.93 ALOX5 (0.41) PTPN1ALOX5HPGDCISD1POLB
SCHEMBL4050707 0.93 ALOX5 (0.41) PTPN1ALOX5HPGDCISD1POLB
SCHEMBL4059814 0.93 ALOX5 (0.41) PTPN1ALOX5HPGDCISD1POLB
SCHEMBL4053974 0.91 PTPN1 (0.39) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4053976 0.91 PTPN1 (0.39) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4051990 0.90 PTPN1 (0.39) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4053526 0.90 PTPN1 (0.39) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4048862 0.90 MEN1 (0.41) PTPN1ALOX5HPGDMEN1MAPT
SCHEMBL4057139 0.90 PTPN1 (0.40) PTPN1ALOX5HPGDMEN1MAPT

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