SCHEMBL25878149

SCHEMBL25878149

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4oc5ccccc5c4c4ccccc34)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.33
PGR P06401 1/20 0.32
CDC25A P30304 2/20 0.32
CDC25C P30307 2/20 0.32
CDC25B P30305 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALK Q9UM73 1/20 0.31
MAOA P21397 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL21427540 0.96 ALK (0.33) PGRALKPDK2
SCHEMBL25877784 0.94 MEN1 (0.35) AHRPGRCDC25ACDC25CCDC25B
SCHEMBL15851715 0.93 PDK2 (0.32) CDC25ACDC25CPDK2
SCHEMBL25878048 0.92 PDK2 (0.33) ALKPDK2
SCHEMBL21020163 0.91 ALK (0.32) ALKPDK2
SCHEMBL11914369 0.89 CDC25A (0.31) CDC25ACDC25C
SCHEMBL26588129 0.89 MEN1 (0.33) AHRPGRMEN1MAPTKMT2A
SCHEMBL21094606 0.89 AHR (0.34) AHRPGRMEN1MAPTKMT2A
SCHEMBL25124596 0.89 AHR (0.39) AHRPGRMEN1MAPTKMT2A
SCHEMBL21392524 0.89 AHR (0.39) AHRPGRMEN1MAPTKMT2A

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
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed