SCHEMBL22868587

SCHEMBL22868587

c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c5c(ccc4c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 6/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B1 P14061 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 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
SCHEMBL22868640 0.96 L3MBTL1 (0.39) L3MBTL1ESR1ESR2KDM4ELMNA
SCHEMBL22868585 0.93 L3MBTL1 (0.33) L3MBTL1ESR1ESR2KDM4ELMNA
SCHEMBL22868999 0.88 L3MBTL1 (0.40) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL22868566 0.85 MEN1 (0.44) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL22869012 0.85 ADORA2A (0.32) KDM4ELMNAGAAALDH1A1PKM
SCHEMBL22869010 0.85 ADORA2A (0.32) KDM4ELMNAGAAALDH1A1PKM
SCHEMBL22868661 0.85 TDP1 (0.41) L3MBTL1ESR1ESR2KDM4ELMNA
SCHEMBL22868557 0.84 L3MBTL1 (0.43) L3MBTL1KDM4ELMNAGAATDP1
SCHEMBL22868513 0.84 ESR1 (0.37) L3MBTL1ESR1ESR2KDM4ELMNA
SCHEMBL22868713 0.84 ESR1 (0.38) ESR1ESR2KDM4ELMNAKMT2A

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