SCHEMBL23713898

SCHEMBL23713898

COc1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.41
PDK2 Q15119 4/20 0.40
PDE4D Q08499 5/20 0.39
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.34

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
SCHEMBL25596251 0.91 PDK2 (0.47) PDK2MAPTLMNAKMT2AKDM4E
SCHEMBL16852583 0.89 PDE4D (0.42) PDK2PDE4DMAPTLMNAKMT2A
SCHEMBL3178700 0.85 PDK2 (0.45) PDK2PDE4DMAPTLMNAKMT2A
SCHEMBL29524103 0.85 PDK2 (0.45) PDK2PDE4DMAPTLMNAKMT2A
SCHEMBL22386692 0.84 PDK2 (0.45) PDK2
SCHEMBL13709017 0.84 PDK2 (0.41) PDK2MAPTLMNAKMT2AKDM4E
SCHEMBL1930650 0.84 PDE4D (0.42) PDE4DMAPTLMNAKMT2AKDM4E
SCHEMBL21793556 0.83 ADAMTS5 (0.36) STING1PDK2MAPTLMNAKMT2A
SCHEMBL21793198 0.83 PDK2 (0.35) PDK2MAPTLMNAKMT2AKDM4E
SCHEMBL13708982 0.81 PDK2 (0.38) PDK2MAPTLMNAKMT2AKDM4E

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-2021154041-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2021-08-05 WO disclosed