SCHEMBL20932469

SCHEMBL20932469

N=C(/C=C\C(=N)c1cccc(-c2ccc3c(c2)Oc2cc4c(cc2O3)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)c1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 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
SCHEMBL20932154 0.94 MEN1 (0.33) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL20932465 0.91 PDK2 (0.30) PDK2
SCHEMBL20932172 0.91 MEN1 (0.35) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL20932599 0.89 MEN1 (0.31) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL20932476 0.88 PDK2 (0.35) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL20932526 0.87 PDK2 (0.34) PDK2PRSS1PRSS2PRSS3
SCHEMBL20932149 0.86 ALDH1A1 (0.31) SMN1; SMN2
SCHEMBL20932330 0.86 PDK2 (0.34) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL20931616 0.84 KDM4E (0.33) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL24149697 0.82 PRSS1 (0.34) PDK2PRSS1PRSS2PRSS3

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-2019078462-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 — — WO disclosed
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