SCHEMBL21728241

SCHEMBL21728241

CC(C)(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccc(-c2nc(C3=CCCC=C3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
HPGD P15428 6/20 0.39
NTSR1 P30989 1/20 0.39
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA1 P30542 5/20 0.34
ADORA2A P29274 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
AGTR1 P30556 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
SCHEMBL21728329 0.94 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21728325 0.93 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21728242 0.92 CYP1A1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21728515 0.92 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21728305 0.89 MEN1 (0.31) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21728486 0.87 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21728307 0.86 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27255987 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21728152 0.84 L3MBTL1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17725272 0.84 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTHPGD

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