SCHEMBL23339583

SCHEMBL23339583

c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
HCRTR1 O43613 1/20 0.32
MAPK14 Q16539 1/20 0.31
MAPT P10636 3/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
DUSP3 P51452 1/20 0.30
KDM4E B2RXH2 2/20 0.30
TSHR P16473 2/20 0.30
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 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
SCHEMBL23339093 0.99 BACE1 (0.34) BACE1HCRTR1MAPK14MAPTDUSP3
SCHEMBL23339760 0.97 HCRTR1 (0.33) BACE1HCRTR1MAPK14PLA2G2APLA2G4A
SCHEMBL23339754 0.97 HCRTR1 (0.33) BACE1HCRTR1MAPK14MAPTPLA2G2A
SCHEMBL23339763 0.95 BACE1 (0.33) BACE1HCRTR1MAPK14
SCHEMBL24883070 0.94 BACE1 (0.33) BACE1HCRTR1MAPK14MAPTDUSP3
SCHEMBL24702034 0.94 BACE1 (0.34) BACE1HCRTR1MAPK14MAPTDUSP3
SCHEMBL24883072 0.92 BACE1 (0.33) BACE1HCRTR1PLA2G2APLA2G4A
SCHEMBL24855840 0.92 BACE1 (0.32) BACE1HCRTR1PLA2G2APLA2G4ADUSP3
SCHEMBL23339098 0.92 BACE1 (0.36) BACE1HCRTR1MAPTPLA2G2APLA2G4A
SCHEMBL24216943 0.92 BACE1 (0.35) BACE1HCRTR1MAPK14MAPTKDM4E

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-2021085969-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2021-05-06 WO disclosed