SCHEMBL21728448

SCHEMBL21728448

C1=CC(c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)cc(-c7ccc(-c8ccccc8)cc7)n6)cc5)CCCCC4)cc3)n2)=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
HPGD P15428 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
NTSR1 P30989 1/20 0.39
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
PGR P06401 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL21728295 0.98 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728297 0.97 PGR (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728214 0.97 MEN1 (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728310 0.91 SLC6A2 (0.34) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728309 0.90 MEN1 (0.34) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728186 0.86 PGR (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728308 0.86 SLC6A2 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3PGR
SCHEMBL21728107 0.86 SLC6A2 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3PGR
SCHEMBL21728119 0.86 SLC6A2 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3PGR
SCHEMBL21728243 0.85 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT

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