SCHEMBL20649758

SCHEMBL20649758

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TSHR P16473 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL20650765 0.88 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL20649762 0.86 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL20650764 0.86 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL23967895 0.86 ALDH1A1 (0.36) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL23967896 0.86 CYP1A2 (0.36) KDM4EALDH1A1GAAMAPT
SCHEMBL21020290 0.85 ALDH1A1 (0.39) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL20650761 0.84 ELANE (0.33) KDM4EALDH1A1GAAMAPTELANE
SCHEMBL20650763 0.84 KDM4E (0.36) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL23967661 0.83 TSHR (0.41) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL20650224 0.82 ALDH1A1 (0.36) KDM4EALDH1A1GAAMAPTTSHR

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