SCHEMBL20649762

SCHEMBL20649762

CC(C)(C)c1ccc(N(I)c2cccc3c2oc2c(C#N)cccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NR1H3 Q13133 1/20 0.32
KIF11 P52732 1/20 0.31
HSD11B1 P28845 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL20650761 0.88 ELANE (0.33) KDM4EALDH1A1GAAMAPTNR1H3
SCHEMBL20173773 0.86 ALDH1A1 (0.37) KDM4EALDH1A1GAAMAPTNR1H3
SCHEMBL20649758 0.86 KDM4E (0.35) KDM4EALDH1A1GAAMAPT
SCHEMBL20650765 0.85 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL23967895 0.83 ALDH1A1 (0.36) KDM4EALDH1A1GAAMAPT
SCHEMBL20650764 0.83 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL23967896 0.83 CYP1A2 (0.36) KDM4EALDH1A1GAAMAPT
SCHEMBL20650776 0.82 MCL1 (0.33)
SCHEMBL20650398 0.82
SCHEMBL20649839 0.81 ALDH1A1 (0.34) KDM4EALDH1A1GAAMAPT

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
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed