SCHEMBL5197944

SCHEMBL5197944

CCc1c(Cc2cc(C)cc(C)c2)n(COCCOC(C)=O)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
UPP1 Q16831 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
IDO1 P14902 1/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL5197713 0.94 MEN1 (0.32) MEN1KMT2ATDP1UPP1ALDH1A1
SCHEMBL5199373 0.87 UPP1 (0.45) MEN1KMT2ATSHRTDP1UPP1
SCHEMBL5199239 0.87 UPP1 (0.44) UPP1HTT
SCHEMBL5198534 0.85 UPP1 (0.38) MEN1KMT2ATDP1UPP1ALDH1A1
SCHEMBL2107018 0.84 SMN1; SMN2 (0.36) MEN1KMT2ATDP1UPP1ALDH1A1
SCHEMBL5199124 0.84 UPP1 (0.37) UPP1
SCHEMBL7256071 0.83 ALDH1A1 (0.32) MEN1KMT2ATDP1ALDH1A1
SCHEMBL5200101 0.83 SMN1; SMN2 (0.34) MEN1KMT2ATDP1UPP1ALDH1A1
SCHEMBL7254871 0.82 ALDH1A1 (0.32) MEN1KMT2ATDP1ALDH1A1
SCHEMBL6304553 0.82 KMT2A (0.37) MEN1KMT2ATDP1UPP1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355887-B1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIV GENEVE (CH) 2007-08-15 EP disclosed
US-6911450-B1 Pyrimidine acyclonucleoside derivatives, preparation method and use thereof UNIVERSITE DE GENEVE (CH) 2005-06-28 US disclosed
EP-1355887-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2003-10-29 EP disclosed
WO-2002060880-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2002-08-08 WO disclosed