SCHEMBL21728181

SCHEMBL21728181

C1=CC(c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(C6=CCCC=N6)cc5)CCCCC4)cc3)n2)=CCC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.31
NR1I2 O75469 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21728411 0.99 NR1I2 (0.33) HSD11B1NR1I2ALDH1A1L3MBTL1
SCHEMBL21728131 0.92 NR1I2 (0.30) HSD11B1NR1I2
SCHEMBL21728302 0.91 SLC6A2 (0.30)
SCHEMBL21728184 0.89
SCHEMBL21728485 0.88 L3MBTL1 (0.36) HSD11B1NR1I2ALDH1A1L3MBTL1
SCHEMBL21728308 0.87 SLC6A2 (0.35) HSD11B1NR1I2ALDH1A1L3MBTL1
SCHEMBL21728107 0.87 SLC6A2 (0.35) HSD11B1NR1I2ALDH1A1L3MBTL1
SCHEMBL21728119 0.87 SLC6A2 (0.35) HSD11B1NR1I2ALDH1A1L3MBTL1
SCHEMBL21728186 0.85 PGR (0.39) HSD11B1NR1I2ALDH1A1L3MBTL1
SCHEMBL21728309 0.79 MEN1 (0.34) HSD11B1NR1I2ALDH1A1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214084-B1 CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed