SCHEMBL4048869

SCHEMBL4048869

O=C1N=C(Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)S/C1=C\c1ccc(OCc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.43
ALOX5 P09917 2/20 0.38
HPGD P15428 11/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL4048872 1.00 PTPN1 (0.43) PTPN1ALOX5HPGDHRH3MEN1
SCHEMBL4059792 0.99 PTPN1 (0.42) PTPN1ALOX5HPGDHRH3MEN1
SCHEMBL4059795 0.99 PTPN1 (0.42) PTPN1ALOX5HPGDHRH3MEN1
SCHEMBL4054740 0.99 PTPN1 (0.42) PTPN1ALOX5HPGDHRH3MEN1
SCHEMBL4054738 0.99 PTPN1 (0.42) PTPN1ALOX5HPGDHRH3MEN1
SCHEMBL4053820 0.90 PTPN1 (0.41) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4053817 0.90 PTPN1 (0.41) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4054938 0.88 KMT2A (0.40) HPGDMEN1KMT2APOLB
SCHEMBL4054942 0.88 KMT2A (0.40) HPGDMEN1KMT2APOLB
SCHEMBL4056114 0.87 ADRB3 (0.36) 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 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