SCHEMBL22136452

SCHEMBL22136452

Brc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.40
▸ PLA2G4A P47712 3/20 0.40
▸ PLA2G10 O15496 1/20 0.40
▸ MMP12 P39900 2/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ CHEK2 O96017 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ AHR P35869 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36

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
SCHEMBL22136664 0.96 PLA2G2A (0.42) PLA2G2APLA2G4APLA2G10CHEK2ALDH1A1
SCHEMBL26727157 0.94 PLA2G2A (0.44) PLA2G2APLA2G4APLA2G10MMP12MMP13
SCHEMBL25646022 0.92 PLA2G2A (0.45) PLA2G2APLA2G4APLA2G10MMP12MMP13
SCHEMBL22136435 0.92 HCRTR1 (0.38) PLA2G2APLA2G4APLA2G10MMP12MMP13
SCHEMBL22130390 0.92 HCRTR1 (0.38) PLA2G2APLA2G4APLA2G10MMP12MMP13
SCHEMBL22117627 0.91 AHR (0.41) MMP12MMP13HCRTR1ALDH1A1HPGD
SCHEMBL22117605 0.91 ALDH1A1 (0.41) PLA2G2APLA2G4APLA2G10CHEK2ALDH1A1
SCHEMBL23823703 0.90 PLA2G2A (0.48) PLA2G2APLA2G4APLA2G10MMP12MMP13
SCHEMBL22760200 0.90 PLA2G2A (0.48) PLA2G2APLA2G4APLA2G10MMP12MMP13
SCHEMBL25645689 0.90 PLA2G2A (0.48) PLA2G2APLA2G4APLA2G10MMP12MMP13

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-2020130724-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 두산솔루스 주식회사 2020-06-25 — — WO disclosed
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