SCHEMBL30683253

SCHEMBL30683253

Brc1cc2c(cc1Nc1ccc(-c3ccccc3)cc1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ ALK Q9UM73 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL26932214 1.00 PDK2 (0.35) PDK2PTGER4ALKMEN1ALDH1A1
SCHEMBL26922477 0.93 MEN1 (0.39) PDK2PTGER4ALKMEN1ALDH1A1
SCHEMBL30683251 0.91 MAPT (0.39) PDK2ALKMEN1ALDH1A1MAPK1
SCHEMBL26924733 0.86 PTGER4 (0.36) PDK2PTGER4ALKMEN1ALDH1A1
SCHEMBL29687555 0.86 PDK2 (0.37) PDK2PTGER4ALKMEN1ALDH1A1
SCHEMBL30714362 0.84 MEN1 (0.42) PDK2ALKMEN1ALDH1A1MAPK1
SCHEMBL24958147 0.80 MEN1 (0.41) PDK2PTGER4ALKMEN1ALDH1A1
SCHEMBL29662140 0.80 MEN1 (0.41) PDK2PTGER4ALKMEN1ALDH1A1
SCHEMBL22245913 0.79 PDK2 (0.47) PDK2MEN1ALDH1A1MAPK1KMT2A
SCHEMBL29518397 0.79 PDK2 (0.54) PDK2MEN1ALDH1A1MAPK1KMT2A

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-2023239092-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-12-14 — — WO disclosed
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