SCHEMBL24969181

SCHEMBL24969181

CC1(C)c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5cccc(-c6ccccc6)c5c4c3)cc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.32
WEE1 P30291 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PGR P06401 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAOA P21397 1/20 0.30
IDO1 P14902 1/20 0.30
PDK2 Q15119 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
SCHEMBL24969170 0.97 WEE1 (0.34) ALKWEE1MAPTPDK2
SCHEMBL26588486 0.93 WEE1 (0.34) ALKWEE1KDM4EMEN1NPC1
SCHEMBL24969160 0.92 ALK (0.32) ALKWEE1
SCHEMBL24255763 0.90 TNKS (0.32) ALKMAPTPDK2ALOX5
SCHEMBL16124235 0.90 ALK (0.33) ALKKDM4EMEN1NPC1ALDH1A1
SCHEMBL17721411 0.90 TNKS (0.32) ALKMAPTPDK2ALOX5
SCHEMBL16124264 0.90 HSP90AA1 (0.34) ALKKDM4EMEN1NPC1ALDH1A1
SCHEMBL14295377 0.90 HSP90AA1 (0.34) ALKKDM4EMEN1NPC1ALDH1A1
SCHEMBL17126357 0.90 HSP90AA1 (0.34) ALKKDM4EMEN1NPC1ALDH1A1
SCHEMBL14295652 0.90 HSP90AA1 (0.34) ALKKDM4EMEN1NPC1ALDH1A1

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-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 WO disclosed