SCHEMBL25877875

SCHEMBL25877875

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4ccc4oc6ccccc6c45)cc3)c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.32
ALK Q9UM73 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX5 P09917 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
SCHEMBL25877974 0.97 KDM4E (0.33) TNKSKDM4EMEN1NPC1ALDH1A1
SCHEMBL25878341 0.97 TNKS (0.30) TNKS
SCHEMBL25877880 0.94 PLA2G2A (0.31)
SCHEMBL25877961 0.92 LPL (0.31)
SCHEMBL25877968 0.92 CHRNA1 (0.33)
SCHEMBL23376295 0.92 TNKS (0.33) TNKSALKALOX5
SCHEMBL25876398 0.91 TDP1 (0.33)
SCHEMBL25875462 0.91 ENPP3 (0.32) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL25878251 0.91 HSP90AA1 (0.32) TNKSALKKDM4EMEN1NPC1
SCHEMBL25877877 0.90 TNKS (0.31) TNKSALKMAPT

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