SCHEMBL22117627

SCHEMBL22117627

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 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
SCHEMBL30681557 0.91 GABRP (0.49) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL22534595 0.91 GABRP (0.49) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL22117605 0.91 ALDH1A1 (0.41) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL30681564 0.91 NR1H4 (0.47) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL22274696 0.91 NR1H4 (0.47) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL22136452 0.91 PLA2G2A (0.40) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL30969420 0.91 AHR (0.47) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL22130381 0.91 MEN1 (0.41) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL38655869 0.90 GABRP (0.48) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL22541754 0.90 NR1H4 (0.46) AHRMAPTMEN1KMT2AALDH1A1

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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