SCHEMBL29696002

SCHEMBL29696002

O=C(COc1cccc2c(=O)[nH]ccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 1.00
ROCK2 O75116 1/20 1.00
TNKS O95271 1/20 1.00
ROCK1 Q13464 1/20 1.00
PARP14 Q460N5 1/20 1.00
PARP10 Q53GL7 1/20 1.00
PARP2 Q9UGN5 1/20 1.00
PARP3 Q9Y6F1 1/20 1.00
KMT2A Q03164 5/20 0.65
HSD17B10 Q99714 2/20 0.65
TDP1 Q9NUW8 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL18548812 1.00 PARP1 (1.00) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL10260277 0.85 ROCK2 (0.73) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL869572 0.79 PARP1 (1.00) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL6224144 0.78 ALDH1A1 (0.73) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL3371602 0.77 PARP1 (0.63) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL9787048 0.75 L3MBTL1 (0.73) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL14297567 0.74 ROCK2 (0.59) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL9644385 0.73 TDP1 (0.65) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL11646427 0.73 ROCK2 (0.57) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL11646129 0.73 ROCK2 (0.57) PARP1ROCK2TNKSROCK1PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119185322-A Tetracyclic quinolone analog combination therapies for treating cancer 生华生物科技股份有限公司 2024-12-27 CN disclosed
WO-2023250513-A1 13-MEMBERED MACROLIDE COMPOUNDS FOR TREATING DISEASES MEDIATED BY ABNORMAL PROTEIN TRANSLATION ZIKANI THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
CN-114599368-A Tetracyclic compounds and salts, compositions, and methods of use thereof 生华生物科技股份有限公司 2022-06-07 CN disclosed