SCHEMBL4746052

SCHEMBL4746052

CCCCCN(CCCCN(CC1CC1CN(CCCCNCCCCCS(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FABP4 P15090 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
RELA Q04206 4/20 0.31
MCHR1 Q99705 1/20 0.31
CNR2 P34972 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
SCHEMBL4746051 0.87 KMT2A (0.37) MEN1KMT2ALMNASMN1; SMN2CNR2
SCHEMBL4746853 0.85 CNR2 (0.36) THRBMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4744059 0.84 KMT2A (0.35) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL4746850 0.76 FABP4 (0.38) MEN1KMT2ALMNAFABP4GAA
SCHEMBL4746903 0.75 KMT2A (0.42) MEN1KMT2ALMNASMN1; SMN2FABP4
SCHEMBL5887535 0.75 MAPT (0.46) MEN1KMT2ALMNAFABP4GAA
SCHEMBL5887533 0.75 CA1 (0.42) MEN1KMT2ALMNAFABP4GAA
SCHEMBL4744056 0.75 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2FABP4
SCHEMBL4747444 0.74 KMT2A (0.35) MEN1KMT2ASMN1; SMN2FABP4GAA
SCHEMBL14080566 0.72 KMT2A (0.41) MEN1KMT2ALMNASMN1; SMN2MAPT

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-2008112251-A1 CYCLOPROPYL-CONTAINING POLYAMINE ANALOGS AS DISEASE THERAPIES PROGEN PHARMACEUTICALS, INC. (US) 2008-09-18 WO disclosed