SCHEMBL28497086

SCHEMBL28497086

Cc1noc(C)c1-c1ccc2nc(NC(=O)C3CCN(C(=O)OC(C)(C)C)C3)sc2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.44
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CLK1 P49759 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 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
SCHEMBL29992673 1.00 L3MBTL1 (0.45) L3MBTL1GPR119KMT2AMEN1MAPT
SCHEMBL28497084 1.00 L3MBTL1 (0.45) L3MBTL1GPR119KMT2AMEN1MAPT
SCHEMBL30718466 0.90 GPR119 (0.44) L3MBTL1GPR119KMT2AMEN1MAPT
SCHEMBL17631665 0.88 SMN1; SMN2 (0.44) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL19281700 0.88 SMN1; SMN2 (0.44) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL29992723 0.85 L3MBTL1 (0.46) L3MBTL1GPR119KMT2AMEN1MAPT
SCHEMBL28488536 0.85 L3MBTL1 (0.46) L3MBTL1GPR119KMT2AMEN1MAPT
SCHEMBL28488534 0.85 L3MBTL1 (0.46) L3MBTL1GPR119KMT2AMEN1MAPT
SCHEMBL30248188 0.84 ADORA2A (0.45) L3MBTL1GPR119KMT2AMEN1MAPT
SCHEMBL30718471 0.83 GPR119 (0.49) L3MBTL1GPR119KMT2AMEN1MAPT

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-111592534-A Novel compounds 特殊治疗有限公司 2020-08-28 — — CN disclosed
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