SCHEMBL22868638

SCHEMBL22868638

c1ccc(-c2nc3ccccc3nc2-c2cccc3c4c(ccc23)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.44
KDM4E B2RXH2 8/20 0.42
LMNA P02545 5/20 0.42
GAA P10253 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
TLR9 Q9NR96 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NUDT1 P36639 2/20 0.35
MAPT P10636 1/20 0.35
ADORA2A P29274 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL22869037 0.90 L3MBTL1 (0.39) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL22868636 0.87 LMNA (0.34) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL22868542 0.87 LMNA (0.34) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL22868996 0.86 L3MBTL1 (0.39) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL22868652 0.85 L3MBTL1 (0.38) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL22868644 0.85 L3MBTL1 (0.40) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL22869086 0.85 MEN1 (0.43) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL22868557 0.84 L3MBTL1 (0.43) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL22868718 0.83 KDM4E (0.46) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL22868947 0.80 MEN1 (0.38) L3MBTL1KDM4ELMNAGAAALDH1A1

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
US-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 US disclosed