SCHEMBL4052695

SCHEMBL4052695

CN(Cc1ccc(C2CCCCC2)cc1)c1ccc(C=C2SC(Nc3ccc(NS(=O)(=O)C(F)(F)F)cc3)=NC2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 2/20 0.34
ALOX5 P09917 1/20 0.34
IDE P14735 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
STAT3 P40763 10/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
TNNC1 P63316 1/20 0.31
PTPN1 P18031 1/20 0.30
GCGR P47871 1/20 0.30

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
SCHEMBL4052690 1.00 MEN1 (0.34) MEN1KMT2ANPC1ALOX5IDE
SCHEMBL4055996 0.87 PTGDR2 (0.36) MEN1KMT2ANPC1ALOX5IDE
SCHEMBL4055993 0.87 PTGDR2 (0.36) MEN1KMT2ANPC1ALOX5IDE
SCHEMBL4048783 0.85 HTT (0.37) MEN1KMT2ANPC1ALOX5IDE
SCHEMBL4048785 0.85 HTT (0.37) MEN1KMT2ANPC1ALOX5IDE
SCHEMBL4048869 0.85 PTPN1 (0.43) MEN1KMT2AALOX5PTPN1
SCHEMBL4048872 0.85 PTPN1 (0.43) MEN1KMT2AALOX5PTPN1
SCHEMBL4059792 0.84 PTPN1 (0.42) MEN1KMT2AALOX5PTPN1
SCHEMBL4059795 0.84 PTPN1 (0.42) MEN1KMT2AALOX5SMN1; SMN2ALDH1A1
SCHEMBL4054740 0.84 PTPN1 (0.42) MEN1KMT2AALOX5PTPN1

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