SCHEMBL21868271

SCHEMBL21868271

N=C(/C=C\C(=N)c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 14/20 0.41
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL21868061 0.89 PDK2 (0.34) PDK2MEN1KMT2APOLBESR1
SCHEMBL24905104 0.87 PDK2 (0.41) PDK2
SCHEMBL21868695 0.85 PDK2 (0.43) PDK2
SCHEMBL20618939 0.84 FTO (0.33) PDK2MEN1KMT2AMAPTTDP1
SCHEMBL21868282 0.83 PDK2 (0.33) PDK2MEN1KMT2ASMN1; SMN2ESR1
SCHEMBL20618993 0.81 PDK2 (0.33) PDK2
SCHEMBL21868101 0.81 PDK2 (0.40) PDK2
SCHEMBL19298696 0.76 PDK2 (0.37) PDK2MEN1KMT2AMAPTTDP1
SCHEMBL20619071 0.75 PDK2 (0.37) PDK2
SCHEMBL21868325 0.74 PDK2 (0.38) PDK2MEN1KMT2AKDM4ELMNA

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
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 — — US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 — — WO disclosed
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