SCHEMBL28705161

SCHEMBL28705161

COc1ccc(-c2cc(=O)c2=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ THRB P10828 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ PDE4A P27815 2/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MAOA P21397 1/20 0.47

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
SCHEMBL29385001 0.78 KDM4E (0.55) MAPTKDM4ETHRBPDE4AMAPK1
SCHEMBL11434073 0.77 L3MBTL1 (0.47) MAPTKDM4ETHRBL3MBTL1NPC1
SCHEMBL8840880 0.76 PDE4A (0.67) MAPTKDM4ETHRBL3MBTL1NPC1
SCHEMBL30452106 0.75 KDM4E (0.57) KDM4EL3MBTL1NPC1RAB9APDE4A
SCHEMBL30363200 0.73 PTPRC (0.53) MAPTKDM4ETHRBL3MBTL1NPC1
SCHEMBL5478760 0.72 PTPRC (0.61) KDM4EL3MBTL1NPC1RAB9APDE4A
SCHEMBL4844181 0.71 RAB9A (0.76) MAPTKDM4ENPC1RAB9AMAPK1
SCHEMBL11434447 0.71 GAK (0.48) MAPTKDM4EL3MBTL1NPC1RAB9A
SCHEMBL14003492 0.71 ACHE (0.65) MAPTKDM4ETHRBL3MBTL1NPC1
SCHEMBL8503322 0.71 CA12 (0.65) MAPTKDM4EL3MBTL1NPC1RAB9A

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-114031563-A Cyclobutylquinoxaline compound and application thereof 武汉科技大学 2022-02-11 — — CN disclosed
Send feedback