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SCHEMBL19918685

SCHEMBL19918685

c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7cc8c9c(cccc9c7c6c5)-c5ccccc5-8)ccc43)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.33
▸ PLA2G2A P14555 2/20 0.32
▸ PLA2G4A P47712 2/20 0.32
▸ PLA2G10 O15496 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ TSPO P30536 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
SCHEMBL19918573 0.97 PLA2G2A (0.32) PLA2G2APLA2G4APLA2G10TSPO
SCHEMBL19918687 0.96 PLA2G2A (0.31) CHEK2PLA2G2APLA2G4APLA2G10
SCHEMBL19918534 0.96 TSPO (0.33) PLA2G2APLA2G4APLA2G10TSPO
SCHEMBL24030881 0.94 ALDH1A1 (0.33) CHEK2PLA2G2APLA2G4APLA2G10
SCHEMBL19039200 0.91 PLA2G2A (0.36) CHEK2PLA2G2APLA2G4APLA2G10TSPO
SCHEMBL19918540 0.90 RAC2 (0.31) PLA2G2APLA2G4APLA2G10TSPO
SCHEMBL19918609 0.90 PLA2G2A (0.33) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL19918598 0.90 PLA2G2A (0.33) CHEK2PLA2G2APLA2G4APLA2G10HSP90AA1
SCHEMBL19918566 0.90 L3MBTL1 (0.33) PLA2G2APLA2G4APLA2G10TSPO
SCHEMBL19918569 0.89 L3MBTL1 (0.33) PLA2G2APLA2G4APLA2G10TSPO

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-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 — — WO disclosed