SCHEMBL28652467

SCHEMBL28652467

NC(=O)Oc1cccc(COc2ccc(C=O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
MAOB P27338 7/20 0.50
MAOA P21397 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP10 Q53GL7 2/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
FFAR1 O14842 2/20 0.47
F2 P00734 2/20 0.47
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
FFAR4 Q5NUL3 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
SCHEMBL28647670 0.88 MEN1 (0.56) RAB9AMAOBMAOAMEN1KMT2A
SCHEMBL28646238 0.83 KMT2A (0.53) RAB9AMAOBMAOAMEN1KMT2A
SCHEMBL8545870 0.82 RAB9A (0.71) RAB9AMAOBMAOAF2NPC1
SCHEMBL3239537 0.82 PARP10 (0.59) RAB9AMAOBPARP10PARP15PARP14
SCHEMBL1164139 0.81 MAOB (0.74) RAB9AMAOBMAOAFFAR1NPC1
SCHEMBL29103439 0.81 MAOB (0.47) RAB9AMAOBMAOAMEN1KMT2A
SCHEMBL28285446 0.80 RAB9A (0.48) RAB9AMAOBMAOAFFAR1NPC1
SCHEMBL6687219 0.80 MAOB (0.66) RAB9AMAOBMAOAMEN1KMT2A
SCHEMBL27983208 0.80 RAB9A (0.63) RAB9AMAOBMAOANPC1TDP1
SCHEMBL1554533 0.79 RAB9A (0.58) RAB9AMAOBMAOAFFAR1NPC1

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-109476699-B Glucocorticoid receptor agonists and immunoconjugates thereof 艾伯维公司 2021-10-12 CN disclosed