SCHEMBL20650341

SCHEMBL20650341

N#Cc1ccccc1N(I)c1cccc2c1sc1c(C(F)(F)F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.35
SLC22A12 Q96S37 3/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CUL4A Q13619 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PGR P06401 1/20 0.30
TEAD1 P28347 1/20 0.30
TEAD4 Q15561 1/20 0.30
TEAD2 Q15562 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
SCHEMBL20650840 0.90 AR (0.35) ARSLC22A12KDM4EALDH1A1GAA
SCHEMBL20650343 0.85 KIF11 (0.34) KDM4EALDH1A1
SCHEMBL20650841 0.85 KDM4E (0.36) KDM4EALDH1A1GAAMAPTCA1
SCHEMBL20172917 0.85 KDM4E (0.37) ARSLC22A12KDM4EALDH1A1GAA
SCHEMBL20650750 0.83 KDM4E (0.33) KDM4EALDH1A1GAAMAPTCA1
SCHEMBL20650337 0.82 KIF11 (0.32)
SCHEMBL20650456 0.81 SLC22A12 (0.33) SLC22A12CUL4A
SCHEMBL20650368 0.81 TSHR (0.41) KDM4EALDH1A1GAAMAPTCA1
SCHEMBL23967665 0.81 HDAC3 (0.33)
SCHEMBL20650207 0.81 KIF11 (0.31) ARALDH1A1MAPT

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