SCHEMBL28056837

SCHEMBL28056837

CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC3CC=CC=C3C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 2/20 0.39
NAMPT P43490 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
HSD11B1 P28845 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL28949869 0.87 EPHX1 (0.43) KMT2AMEN1L3MBTL3HSD11B1POLB
SCHEMBL28056859 0.84 FDFT1 (0.47) KMT2AMEN1LMNAGAA
SCHEMBL5556528 0.83 MAPT (0.47) KMT2ATHRBNAMPTGPR119KDM4E
SCHEMBL28056726 0.82 NPC1 (0.41) KMT2AMEN1LMNAL3MBTL3MAPT
SCHEMBL28056784 0.81 PARP10 (0.46) L3MBTL3POLBGAA
SCHEMBL28056844 0.78 LMNA (0.45) KMT2ALMNAGPR119MAPT
SCHEMBL10922111 0.75 QDPR (0.40) POLBKDM4E
SCHEMBL1028407 0.73 NPC1 (0.32) POLB
SCHEMBL1898647 0.72
SCHEMBL28166840 0.72 PDE4B (0.32)

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-103732589-B Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor BRISTOL-MYERS SQUIBB CO. (US) 2016-03-30 CN disclosed