SCHEMBL25877974

SCHEMBL25877974

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4ccc4oc6ccccc6c45)cc3)c3ccc4oc5ccccc5c4c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PGR P06401 1/20 0.31
ALOX5 P09917 1/20 0.31
TNKS O95271 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
SCHEMBL25877875 0.97 TNKS (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL25878251 0.94 HSP90AA1 (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL25878341 0.94 TNKS (0.30) TNKS
SCHEMBL25877880 0.91 PLA2G2A (0.31)
SCHEMBL25875462 0.90 ENPP3 (0.32) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL19764400 0.89 MEN1 (0.36) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL25877961 0.89 LPL (0.31)
SCHEMBL25877968 0.89 CHRNA1 (0.33)
SCHEMBL23376295 0.89 TNKS (0.33) ALOX5TNKS
SCHEMBL25876555 0.89 KDM4E (0.32) KDM4EMEN1ALDH1A1MAPTHPGD

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