SCHEMBL28940964

SCHEMBL28940964

CON(C)C(=O)c1csc([C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
UCHL1 P09936 3/20 0.37
GPR119 Q8TDV5 6/20 0.34
USP30 Q70CQ3 3/20 0.33
NAA50 Q9GZZ1 1/20 0.32
HSD11B1 P28845 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
SCHEMBL28743818 0.87 NAA50 (0.32) NAA50
SCHEMBL1275276 0.83 USP30 (0.43) NR1H2NR1H3UCHL1GPR119USP30
SCHEMBL1275274 0.83 USP30 (0.43) NR1H2NR1H3UCHL1GPR119USP30
SCHEMBL10077030 0.83 NAA50 (0.40) NR1H2NR1H3UCHL1GPR119USP30
SCHEMBL28743820 0.81 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1273394 0.81 NR1H2 (0.40) NR1H2NR1H3UCHL1GPR119USP30
SCHEMBL1273147 0.81 NR1H2 (0.40) NR1H2NR1H3UCHL1GPR119USP30
SCHEMBL1273270 0.81 NR1H2 (0.40) NR1H2NR1H3UCHL1GPR119USP30
SCHEMBL28743783 0.80 NR1H2 (0.42) NR1H2NR1H3UCHL1USP30NAA50
SCHEMBL1273532 0.79 NR1H2 (0.41) NR1H2NR1H3UCHL1GPR119

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-109705191-B IAP inhibitors and their use in medicine 广东东阳光药业有限公司 2022-04-29 CN disclosed