SCHEMBL4055993

SCHEMBL4055993

CN(Cc1ccc(/C=C2/SC(Nc3ccc(NS(=O)(=O)C(F)(F)F)cc3)=NC2=O)cc1)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
ALOX5 P09917 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
TNNC1 P63316 1/20 0.34
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
IDE P14735 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL4055996 1.00 PTGDR2 (0.36) PTGDR2ALOX5MEN1KMT2ANPC1
SCHEMBL4048785 0.91 HTT (0.37) PTGDR2ALOX5MEN1KMT2ANPC1
SCHEMBL4048783 0.91 HTT (0.37) PTGDR2ALOX5MEN1KMT2ANPC1
SCHEMBL4052695 0.87 MEN1 (0.34) ALOX5MEN1KMT2ANPC1TNNI3
SCHEMBL4052690 0.87 MEN1 (0.34) ALOX5MEN1KMT2ANPC1TNNI3
SCHEMBL4052876 0.82 PTPN1 (0.49) ALOX5CISD1PTPN1POLB
SCHEMBL4052873 0.82 PTPN1 (0.49) ALOX5CISD1PTPN1POLB
SCHEMBL4053337 0.82 PTPN1 (0.40) ALOX5PTGS1PTGS2PTPN1
SCHEMBL4053340 0.82 PTPN1 (0.40) ALOX5PTGS1PTGS2PTPN1
SCHEMBL4060733 0.78 ENPP2 (0.48) MEN1KMT2ACISD1PTPN1POLB

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