SCHEMBL22432402

SCHEMBL22432402

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
PGR P06401 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
DNMT1 P26358 3/20 0.36

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
SCHEMBL23622669 0.95 L3MBTL1 (0.39) L3MBTL1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL25449251 0.90 KIF11 (0.42) L3MBTL1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL23622677 0.87 KDM4E (0.44) L3MBTL1ALDH1A1KDM4EATM
SCHEMBL24224759 0.86 L3MBTL1 (0.37) L3MBTL1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24224764 0.86 L3MBTL1 (0.37) L3MBTL1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL25693000 0.86 ALDH1A1 (0.44) L3MBTL1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24791924 0.85 NR1H4 (0.38) L3MBTL1ALDH1A1KDM4EATMPPARG
SCHEMBL20865077 0.83 KDM4E (0.39) L3MBTL1ALDH1A1KDM4EATMPGR
SCHEMBL23373421 0.83 KDM4E (0.48) L3MBTL1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL23358304 0.83 KDM4E (0.48) L3MBTL1ALDH1A1NPC1RAB9AKDM4E

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
US-20200295269-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-17 US disclosed