SCHEMBL27819082

SCHEMBL27819082

Cc1ccc(S(=O)(=O)n2ccc3nc(N(CC(=O)C4CN(C(=O)O)CCC4C)C(=O)OC(C)(C)C)cnc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.33
HTR6 P50406 2/20 0.32
STAT3 P40763 2/20 0.32
ADAM17 P78536 2/20 0.32
MMP13 P45452 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
STAT5B P51692 2/20 0.31
BCHE P06276 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL14779678 0.94 L3MBTL1 (0.33) STAT3L3MBTL1STAT5B
SCHEMBL1536129 0.90 GRIN2B (0.39) GPR119HTR6ADAM17MMP13BCHE
SCHEMBL23404278 0.89 L3MBTL1 (0.32) STAT3L3MBTL1STAT5B
SCHEMBL14779159 0.89 L3MBTL1 (0.32) STAT3L3MBTL1STAT5B
SCHEMBL4352397 0.87 ADAM17 (0.32) GPR119HTR6ADAM17BCHE
SCHEMBL14791222 0.85 GRIN2B (0.35) GPR119ADAM17MMP13STAT5B
SCHEMBL4350480 0.84 ALDH1A1 (0.37) STAT3L3MBTL1STAT5BALDH1A1
SCHEMBL4354349 0.83 L3MBTL1 (0.36) L3MBTL1ALDH1A1
SCHEMBL23546231 0.81 PIK3CD (0.36) GPR119ADAM17MMP13STAT5B
SCHEMBL29899353 0.81 PIK3CD (0.36) GPR119ADAM17MMP13STAT5B

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-102118968-A Novel tricyclic compounds ABBOTT LAB 2011-07-06 CN disclosed