SCHEMBL19831080

SCHEMBL19831080

c1ccc(COc2ccccc2-c2cccc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ PTGER1 P34995 8/20 0.44
▸ PTGER4 P35408 4/20 0.44
▸ PTGER3 P43115 4/20 0.44
▸ PTGER2 P43116 4/20 0.44
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ SGMS2 Q8NHU3 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL30835061 1.00 MEN1 (0.46) MEN1NPC1KMT2ARAB9AGRM5
SCHEMBL30835022 0.86 NPC1 (0.44) MEN1NPC1KMT2ARAB9APTGER1
SCHEMBL19830901 0.83 NPC1 (0.41) MEN1NPC1KMT2ARAB9AGRM5
SCHEMBL30834996 0.83 NPC1 (0.41) MEN1NPC1KMT2ARAB9AGRM5
SCHEMBL19830926 0.83 NPC1 (0.44) MEN1NPC1KMT2ARAB9APTGER1
SCHEMBL30835083 0.83 NPC1 (0.44) MEN1NPC1KMT2ARAB9APTGER1
SCHEMBL28600748 0.81 PTGER1 (0.52) GRM5PTGER1PTGER4PTGER3PTGER2
SCHEMBL30835033 0.81 PTGER1 (0.52) GRM5PTGER1PTGER4PTGER3PTGER2
SCHEMBL30835100 0.81 CYP11B1 (0.50) GRM5PTGER1PTGER4PTGER3PTGER2
SCHEMBL30835112 0.80 PTGER1 (0.51) MEN1KMT2AGRM5PTGER1PTGER4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 — — CN disclosed
CN-109689665-B Metal complex and electron transport material using the same 大电株式会社 2021-10-01 — — CN disclosed
CN-112961102-A Metal complex and electron transport material using the same 大电株式会社 2021-06-15 — — CN disclosed
WO-2018021406-A1 METAL COMPLEX AND ELECTRON-TRANSPORTING MATERIAL USING SAME 大電株式会社 2018-02-01 — — WO disclosed
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