SCHEMBL30929675

SCHEMBL30929675

[2H]c1c([2H])c([2H])c2c(-c3ccc4c(c3)oc3ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(Br)c2c1[2H]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.42
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HCRTR1 O43613 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MAOA P21397 3/20 0.36

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
SCHEMBL31174235 0.91 MAPT (0.42) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL30647523 0.86 AHR (0.49) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL20363658 0.86 AHR (0.49) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL24662721 0.82 ALOX5 (0.42) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL24662719 0.82 AHR (0.45) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL30525545 0.82 MAOB (0.31) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL20906776 0.81 AHR (0.57) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL31174237 0.80 ABCG2 (0.37) AHRMAPTKDM4EHPGDNPC1
SCHEMBL17999985 0.79 AHR (0.55) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL17999986 0.79 AHR (0.55) AHRMEN1KMT2AMAPTKDM4E

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-2024117844-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CONTAINING SAME 주식회사 엘지화학 2024-06-06 — — WO disclosed
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