SCHEMBL22130381

SCHEMBL22130381

Brc1cc(Br)cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ AHR P35869 2/20 0.39
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37

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
SCHEMBL22130397 0.92 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22130390 0.92 HCRTR1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22136435 0.92 HCRTR1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22913615 0.91 AGTR1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22117627 0.91 AHR (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL15505921 0.90 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22130378 0.90 MAPT (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22136447 0.90 MAPT (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16185823 0.89 PLA2G2A (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22913742 0.88 AGTR1 (0.49) MEN1KMT2AMAPTALDH1A1HPGD

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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