SCHEMBL29031853

SCHEMBL29031853

COc1cc2c(-c3ccccc3)c(-c3ccccc3)[nH]c(=O)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
GUSB P08236 1/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
SERPINE1 P05121 2/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44

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
SCHEMBL29639192 0.82 SERPINE1 (0.56) SERPINE1TNKS2PARP2TUBB4ATUBB
SCHEMBL31014303 0.81 ESR1 (0.50) PDE3BPDE3ANPC1RAB9ASERPINE1
SCHEMBL5599610 0.78 WHR1 (0.50) PDE3BPDE3ANPC1MEN1RAB9A
SCHEMBL16312435 0.78 MAPT (0.51) PDE3BPDE3AGUSBNPC1MEN1
SCHEMBL29639258 0.77 PTGS2 (0.54) NPC1MEN1RAB9AKMT2ASERPINE1
SCHEMBL29031845 0.77 PTGS2 (0.54) NPC1MEN1RAB9AKMT2ASERPINE1
SCHEMBL29639198 0.77 PTGS2 (0.54) NPC1MEN1RAB9AKMT2ASERPINE1
SCHEMBL29639174 0.77 SERPINE1 (0.67) MEN1KMT2AATMSERPINE1ESR1
SCHEMBL29031883 0.77 SERPINE1 (0.67) MEN1KMT2AATMSERPINE1ESR1
SCHEMBL30472324 0.76 ESR1 (0.49) SERPINE1ESR1ESR2TNKS2KDM4E

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-116396206-A Isoindolinone compound and preparation method and application thereof 五邑大学 2023-07-07 CN disclosed