SCHEMBL28436731

SCHEMBL28436731

O=C(O)c1ccccc1-n1ccc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.48
MYC P01106 3/20 0.46
NR4A1 P22736 2/20 0.46
HSP90AA1 P07900 3/20 0.46
TRAP1 Q12931 2/20 0.46
HSP90AB1 P08238 1/20 0.46
HSP90B1 P14625 1/20 0.46
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKACA P17612 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
SCHEMBL484192 0.86 MYC (0.46) L3MBTL1POLBAPEX1TDP1ALDH1A1
SCHEMBL152899 0.85 HSP90AA1 (0.50) L3MBTL1POLBAPEX1TDP1ALDH1A1
SCHEMBL8610906 0.85 NPC1 (0.46) L3MBTL1TDP1ALDH1A1HSP90AA1TRAP1
SCHEMBL30637639 0.85 NPC1 (0.46) L3MBTL1TDP1ALDH1A1HSP90AA1TRAP1
SCHEMBL30928942 0.85 NPC1 (0.46) L3MBTL1TDP1ALDH1A1HSP90AA1TRAP1
SCHEMBL154462 0.85 NOTUM (0.50) L3MBTL1POLBAPEX1TDP1ALDH1A1
SCHEMBL2581642 0.82 ALDH1A1 (0.40) L3MBTL1POLBAPEX1TDP1ALDH1A1
SCHEMBL1271471 0.82 TDP1 (0.48) L3MBTL1POLBAPEX1TDP1ALDH1A1
SCHEMBL9429195 0.82 FABP4 (0.57) L3MBTL1POLBAPEX1TDP1ALDH1A1
SCHEMBL16719951 0.82 POLB (0.48) L3MBTL1POLBAPEX1TDP1ALDH1A1

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-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed