SCHEMBL27487690

SCHEMBL27487690

COc1cccc(NC(=O)Cc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 1.00
L3MBTL1 Q9Y468 1/20 0.78
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
RAB9A P51151 4/20 0.75
SMN1; SMN2 Q16637 2/20 0.71
ALDH1A1 P00352 1/20 0.71
MAPT P10636 1/20 0.71
NPC1 O15118 3/20 0.70
NLRP3 Q96P20 3/20 0.67
HPGD P15428 2/20 0.64
EPHX2 P34913 1/20 0.63
POLB P06746 1/20 0.63

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
Oxirane SCHEMBL29014918 0.93 USP2 (0.87) USP2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL5103284 0.91 USP2 (0.84) USP2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL8704595 0.90 USP2 (0.81) USP2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL8705939 0.89 USP2 (0.80) USP2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL6171858 0.88 L3MBTL1 (1.00) USP2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL30452440 0.86 RAB9A (1.00) USP2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL5142657 0.84 NPC1 (0.75) USP2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL11900270 0.84 EPHX2 (0.81) USP2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL3645379 0.84 USP2 (0.72) USP2L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6209008 0.83 USP2 (0.71) USP2L3MBTL1MEN1KMT2ARAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539129-B Allylamine bifunctional compound and application thereof 上海中医药大学附属龙华医院 2023-06-09 CN disclosed
WO-2022259219-A1 NOVEL MELATONERGIC LIGANDS AND USES THEREOF GOBBI GABRIELLA (CA) 2022-12-15 WO disclosed
CN-114539129-A Allylamine bifunctional compound and application thereof 上海中医药大学附属龙华医院 2022-05-27 CN disclosed
CN-102153433-B N-monosubstituted-alpha-carbonylamide compound and preparation method thereof UNIV SHANGHAI 2013-09-04 CN disclosed
CN-102153433-A N-monosubstituted-alpha-carbonylamide compound and preparation method thereof UNIV SHANGHAI 2011-08-17 CN disclosed
CN-1195740-C Pharmaceutical composition containing 2-quinolinone LAFON LABOR (FR) 2005-04-06 CN disclosed
CN-1309639-A Pharmaceutical composition containing 2-quinolinone LAFON LABOR (FR) 2001-08-22 CN disclosed