SCHEMBL20650765

SCHEMBL20650765

N#Cc1ccc(N(I)c2cccc3c2oc2c(C#N)cccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

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
TNKS O95271 1/20 0.32

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
SCHEMBL20649758 0.88 KDM4E (0.35) KDM4EALDH1A1GAAMAPT
SCHEMBL20650355 0.85 AR (0.34) TNKS
SCHEMBL20650296 0.85 MCL1 (0.32) KDM4EALDH1A1GAAMAPTTNKS
SCHEMBL23967896 0.85 CYP1A2 (0.36) KDM4EALDH1A1GAAMAPT
SCHEMBL20650764 0.85 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL23967895 0.85 ALDH1A1 (0.36) KDM4EALDH1A1GAAMAPT
SCHEMBL20649762 0.85 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL20650761 0.85 ELANE (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL20650244 0.84 TNKS (0.40) KDM4EALDH1A1GAAMAPTTNKS
SCHEMBL21021034 0.84 ALDH1A1 (0.39) KDM4EALDH1A1GAAMAPTTNKS

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