SCHEMBL22117605

SCHEMBL22117605

Brc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccccc5c4c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHEK2 O96017 1/20 0.40
▸ PLA2G2A P14555 3/20 0.40
▸ PLA2G4A P47712 3/20 0.40
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40

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
SCHEMBL20471740 0.96 MAPT (0.45) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL22136664 0.94 PLA2G2A (0.42) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL22117627 0.91 AHR (0.41) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL20152841 0.91 GABRP (0.49) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL20385212 0.91 NR1H4 (0.47) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL22136452 0.91 PLA2G2A (0.40) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL28674710 0.91 AHR (0.40) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL22136931 0.91 NPC1 (0.38) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL22130397 0.91 MEN1 (0.41) ALDH1A1HPGDMAPTNPC1MEN1
SCHEMBL22544672 0.90 NR1H4 (0.46) ALDH1A1HPGDMAPTNPC1MEN1

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