SCHEMBL29687555

SCHEMBL29687555

c1ccc(-c2ccc(Nc3cc4c(cc3-c3ccccc3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.37
▸ PTGER4 P35408 1/20 0.36
▸ MET P08581 4/20 0.35
▸ HGF P14210 2/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ GMNN O75496 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL29662140 0.93 MEN1 (0.41) PDK2PTGER4METHGFALK
SCHEMBL24958147 0.93 MEN1 (0.41) PDK2PTGER4METHGFALK
SCHEMBL21108169 0.90 ALK (0.33) PDK2ALKEGFRMAPK14MAPKAPK2
SCHEMBL30612827 0.87 MEN1 (0.42) PDK2ALKMEN1KMT2AKDM4E
SCHEMBL26952585 0.86 CYP11B1 (0.34) PDK2PTGER4METHGFMEN1
SCHEMBL21108428 0.86 PDK2 (0.34) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL29662239 0.86 PTGER4 (0.37) PDK2PTGER4METHGFALK
SCHEMBL25524265 0.86 PTGER4 (0.37) PDK2PTGER4METHGFALK
SCHEMBL30683253 0.86 PDK2 (0.35) PDK2PTGER4METHGFALK
SCHEMBL26932214 0.86 PDK2 (0.35) PDK2PTGER4METHGFALK

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-2022108259-A1 COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-05-27 — — WO disclosed
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