SCHEMBL21728240

SCHEMBL21728240

CC(C)(c1ccc(C2=CCCC=N2)cc1)c1ccc(-c2cc(-c3ccccc3)nc(C3=CCCC=C3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
NTSR1 P30989 1/20 0.32
AGTR1 P30556 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21728307 0.94 MEN1 (0.35) ADORA1TDP1MEN1KMT2AALDH1A1
SCHEMBL21728313 0.91 L3MBTL1 (0.31) L3MBTL1
SCHEMBL21728515 0.87 MEN1 (0.41) ADORA1TDP1MEN1KMT2AALDH1A1
SCHEMBL21728229 0.86
SCHEMBL21728475 0.84 TDP1 (0.34) ADORA1TDP1MEN1KMT2AALDH1A1
SCHEMBL21728325 0.81 MEN1 (0.40) ADORA1TDP1MEN1KMT2AALDH1A1
SCHEMBL21728131 0.81 NR1I2 (0.30)
SCHEMBL21728329 0.80 MEN1 (0.40) ADORA1TDP1MEN1KMT2AALDH1A1
SCHEMBL21728241 0.79 MEN1 (0.39) ADORA1TDP1MEN1KMT2AALDH1A1
SCHEMBL23033831 0.79 MAPT (0.44) ADORA1TDP1MEN1KMT2AALDH1A1

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