SCHEMBL12402012

SCHEMBL12402012

CCOCCNC(=O)CNC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PCNA P12004 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13311547 0.88 MEN1 (0.48) EPHX2KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL19133112 0.86 EPHX2 (0.43) EPHX2ALDH1A1SMN1; SMN2TSHRCA1
SCHEMBL10304153 0.81 MEN1 (0.56) EPHX2RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL24307290 0.81 TSHR (0.43) EPHX2KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL21762771 0.81 MEN1 (0.39) ALDH1A1SMN1; SMN2TSHRCA1CA2
SCHEMBL16081529 0.81 MEN1 (0.39) ALDH1A1SMN1; SMN2TSHRCA1CA2
SCHEMBL8956669 0.81 MEN1 (0.39) ALDH1A1SMN1; SMN2TSHRCA1CA2
SCHEMBL22845257 0.80 EPHX2 (0.48) EPHX2THRBMEN1KMT2A
SCHEMBL13864736 0.80 EPHX2 (0.48) EPHX2THRBMEN1KMT2A
SCHEMBL16081648 0.79 MEN1 (0.42) KDM4EALDH1A1SMN1; SMN2TSHRCA1

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
US-7998706-B2 Pyrimidine nucleobases APPLIED BIOSYSTEMS, LLC (US) 2011-08-16 US disclosed