SCHEMBL12502011

SCHEMBL12502011

COC(=O)c1nc(C(C)(C)NC(=O)OCc2ccccc2)[nH]c(=O)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
CTSS P25774 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL8267930 0.88 RNASEH1 (0.56) RNASEH1MEN1KMT2ATNKSTNKS2
SCHEMBL13218149 0.83 RNASEH1 (0.40) RNASEH1MEN1KMT2ATNKSTNKS2
SCHEMBL13302558 0.81 RNASEH1 (0.53) RNASEH1MEN1KMT2ATNKSTNKS2
SCHEMBL12777995 0.80 RNASEH1 (0.49) RNASEH1MEN1KMT2ATNKSTNKS2
SCHEMBL12777996 0.76 CYP1A2 (0.39) MEN1KMT2ATNKSTNKS2ALDH1A1
SCHEMBL1150858 0.72 MEN1 (0.45) RNASEH1MEN1KMT2AERCC1FEN1
SCHEMBL8266635 0.71 KCNE1 (0.43) RNASEH1MEN1KMT2AALDH1A1ERCC1
SCHEMBL13218179 0.70 MEN1 (0.43) MEN1KMT2ASMN1; SMN2ATMCTSS
SCHEMBL18196234 0.70 MEN1 (0.43) RNASEH1MEN1KMT2ASMN1; SMN2ATM
SCHEMBL13218239 0.70 KMT2A (0.41) RNASEH1MEN1KMT2AALDH1A1SMN1; SMN2

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-2012103105-A1 PROCESSES FOR PREPARING RALTEGRAVIR AND INTERMEDIATES IN THE PROCESSES ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2012-08-02 WO disclosed