SCHEMBL21756083

SCHEMBL21756083

C1=CCCC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc34)n2)=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.36
PLA2G4A P47712 3/20 0.36
MMP12 P39900 2/20 0.34
MMP13 P45452 1/20 0.34
CHEK2 O96017 1/20 0.33
HCRTR1 O43613 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ATM Q13315 1/20 0.32
PLA2G10 O15496 1/20 0.32
TTR P02766 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
AHR P35869 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL22736675 0.88 MMP12 (0.36) PLA2G2APLA2G4AMMP12MMP13HCRTR1
SCHEMBL24686571 0.87 CHEK2 (0.31) CHEK2
SCHEMBL26772404 0.87 GP6 (0.32) ATMALDH1A1HPGDKDM4EMEN1
SCHEMBL23729317 0.87 MEN1 (0.33) ATMALDH1A1HPGDKDM4EMEN1
SCHEMBL22384599 0.87 MEN1 (0.33) ATMALDH1A1HPGDKDM4EMEN1
SCHEMBL22545022 0.87 CHEK2 (0.32) PLA2G2APLA2G4ACHEK2NPC1RAB9A
SCHEMBL19802765 0.86 PLA2G2A (0.33) PLA2G2APLA2G4AMMP12MMP13HCRTR1
SCHEMBL22541781 0.86 TNKS (0.36) PLA2G2APLA2G4ACHEK2NPC1RAB9A
SCHEMBL19368704 0.84 PLA2G2A (0.35) PLA2G2APLA2G4ANPC1RAB9APLA2G10
SCHEMBL24215948 0.84 PLA2G2A (0.43) PLA2G2APLA2G4AMMP12MMP13CHEK2

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-2020040571-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-27 WO disclosed