SCHEMBL22986961

SCHEMBL22986961

c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.35
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
PLA2G10 O15496 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 6/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
AHR P35869 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX5 P09917 1/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 4/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL24039676 0.99 CHEK2 (0.34) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL24039576 0.98 PLA2G2A (0.34) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL15593054 0.96 CHEK2 (0.36) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL22059130 0.96 CHEK2 (0.36) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL23437224 0.96 CHEK2 (0.34) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL23437666 0.95 CHEK2 (0.35) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL24039486 0.95 CHEK2 (0.36) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL22939852 0.95 ALOX5 (0.33) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL23437025 0.95 CHEK2 (0.33) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL24039651 0.95 CHEK2 (0.33) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1

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-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 US disclosed