SCHEMBL21131920

SCHEMBL21131920

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ncccn5)cc4)c4ccccc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL21131826 0.95 L3MBTL1 (0.44) MEN1KMT2AATML3MBTL1ABCG2
SCHEMBL21131863 0.91 TNF (0.47) MEN1KMT2AATML3MBTL1ABCG2
SCHEMBL23608932 0.91 L3MBTL1 (0.50) MEN1KMT2AATML3MBTL1ABCG2
SCHEMBL22186253 0.89 L3MBTL1 (0.48) MEN1KMT2AATML3MBTL1ABCG2
SCHEMBL27129015 0.89 L3MBTL1 (0.48) MEN1KMT2AATML3MBTL1ABCG2
SCHEMBL27129031 0.89 L3MBTL1 (0.48) MEN1KMT2AATML3MBTL1ABCG2
SCHEMBL25682313 0.89 L3MBTL1 (0.52) MEN1KMT2AATML3MBTL1ABCG2
SCHEMBL23633694 0.89 L3MBTL1 (0.52) MEN1KMT2AATML3MBTL1ABCG2
SCHEMBL25686652 0.89 L3MBTL1 (0.52) MEN1KMT2AATML3MBTL1ABCG2
SCHEMBL23608940 0.88 MEN1 (0.41) MEN1KMT2AATML3MBTL1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed