SCHEMBL4054740

SCHEMBL4054740

O=C1N=C(Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)SC1=Cc1ccc(OCc2ccc(C3CCCC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.42
ALOX5 P09917 2/20 0.38
HPGD P15428 10/20 0.36
POLB P06746 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL4054738 1.00 PTPN1 (0.42) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4048869 0.99 PTPN1 (0.43) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4048872 0.99 PTPN1 (0.43) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4059792 0.98 PTPN1 (0.42) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4059795 0.98 PTPN1 (0.42) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4053820 0.91 PTPN1 (0.41) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4053817 0.91 PTPN1 (0.41) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4052873 0.88 PTPN1 (0.49) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4052876 0.88 PTPN1 (0.49) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4054943 0.87 HPGD (0.48) PTPN1ALOX5HPGDMEN1KMT2A

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