SCHEMBL29314000

SCHEMBL29314000

C1=CCCC(c2ccc(-c3cc(-c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc(C5C=CC=CC5)c4)nc(-c4ccccc4)n3)cc2)=C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
NTSR1 P30989 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CYP2C19 P33261 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
SCHEMBL23966391 0.89 KDM4E (0.30) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL25022887 0.82 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL13190924 0.81
SCHEMBL21845645 0.79 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21415977 0.78
SCHEMBL25826891 0.78 CYP19A1 (0.30)
SCHEMBL20038844 0.78 KDM4E (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL15468619 0.77 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20146105 0.77
SCHEMBL22756622 0.76 CYP19A1 (0.31)

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-4400501-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2024-07-17 EP disclosed