SCHEMBL21429587

SCHEMBL21429587

C1=c2oc3ccc(-c4ccc5oc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c5c4)cc3c2=CC(c2ccc3oc4ccccc4c3c2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
NPC1 O15118 4/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
PLA2G2A P14555 5/20 0.35
PLA2G4A P47712 5/20 0.35
PLA2G10 O15496 1/20 0.34
AHR P35869 2/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL13463779 0.81 PLA2G2A (0.31) PLA2G2APLA2G4AHSP90AA1HSP90AB1
SCHEMBL4567315 0.81 PLA2G2A (0.33) KMT2ANPC1MEN1MAPTSMN1; SMN2
SCHEMBL12580188 0.81 PLA2G2A (0.30) PLA2G2APLA2G4A
SCHEMBL18052323 0.81 HDAC4 (0.30)
SCHEMBL19368833 0.80 PLA2G2A (0.36) KMT2ANPC1MEN1MAPTSMN1; SMN2
SCHEMBL20079953 0.80 PLA2G2A (0.32) PLA2G2APLA2G4APLA2G10
SCHEMBL24342872 0.77 AHR (0.30) AHR
SCHEMBL24341007 0.77
SCHEMBL26532595 0.75 AHR (0.32) KMT2ANPC1MEN1MAPTSMN1; SMN2
SCHEMBL21928804 0.75 MAPT (0.31) KMT2ANPC1MEN1MAPTSMN1; SMN2

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-2019190248-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-03 WO disclosed