SCHEMBL20650508

SCHEMBL20650508

CCc1cccc2c1sc1c(N(I)c3ccc(C)cc3C)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
TP53 P04637 1/20 0.33
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
CRHR1 P34998 1/20 0.30
THRB P10828 2/20 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
SCHEMBL21020311 0.86 MEN1 (0.36) MEN1KMT2ATP53NCOA1NCOA3
SCHEMBL20650832 0.82 CYP1A2 (0.31)
SCHEMBL20650779 0.81 MAPT (0.38) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL20649870 0.80 LMNA (0.32) MEN1KMT2ALMNA
SCHEMBL20650819 0.80
SCHEMBL20650247 0.79 NR1H2 (0.33)
SCHEMBL20650344 0.79 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL20650230 0.78 ALDH1A1 (0.34) TP53MAPTNPSR1ALDH1A1
SCHEMBL20650507 0.78 TP53 (0.33) TP53
SCHEMBL20650371 0.78 MEN1 (0.36) MEN1KMT2ANCOA1NCOA3MAPT

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