SCHEMBL27763588

SCHEMBL27763588

CCC(CO)C(=N)C(=O)C(=N)C(CC)CO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CA2 P00918 5/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 3/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL27605345 0.83 CA2 (0.37) USP2TSHRCA2MAPK1CA1
SCHEMBL27559021 0.83 CA2 (0.37) USP2TSHRCA2MAPK1CA1
SCHEMBL27671851 0.83 CA2 (0.37) USP2TSHRCA2MAPK1CA1
SCHEMBL27842178 0.78 CA1 (0.38) USP2TSHRCA2CA1LMNA
SCHEMBL7356322 0.74
SCHEMBL27616177 0.73 CA2 (0.32) CA2MAPK1CA1
SCHEMBL27785585 0.73 CA2 (0.32) CA2MAPK1CA1
SCHEMBL27577240 0.73 CA2 (0.32) CA2MAPK1CA1
SCHEMBL9389418 0.73 TSHR (0.42) USP2TSHRCA2MAPK1CA1
SCHEMBL10634919 0.70

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
CN-101573335-A Kinase inhibitors TAKEDA SAN DIEGO INC (JP) 2009-11-04 CN disclosed