SCHEMBL22868641

SCHEMBL22868641

CC1(C)c2ccccc2-c2c1ccc1cc(-c3nc4ccccc4nc3-c3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 6/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 5/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 8/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ATM Q13315 1/20 0.35
TLR9 Q9NR96 1/20 0.35
PKM P14618 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
SCHEMBL22868661 0.96 TDP1 (0.41) TDP1L3MBTL1ALDH1A1LMNATHRB
SCHEMBL24275129 0.93 L3MBTL1 (0.39) TDP1L3MBTL1ALDH1A1LMNATHRB
SCHEMBL24275314 0.92 L3MBTL1 (0.38) TDP1L3MBTL1ALDH1A1LMNATHRB
SCHEMBL24275110 0.92 L3MBTL1 (0.40) TDP1L3MBTL1ALDH1A1LMNATHRB
SCHEMBL22868734 0.91 TDP1 (0.43) TDP1L3MBTL1ALDH1A1LMNATHRB
SCHEMBL22868662 0.91 ALDH1A1 (0.34) TDP1L3MBTL1ALDH1A1LMNATHRB
SCHEMBL22868639 0.88 MAOA (0.34) TDP1L3MBTL1ALDH1A1LMNATHRB
SCHEMBL22868642 0.88 MAOA (0.34) TDP1L3MBTL1ALDH1A1LMNATHRB
SCHEMBL22868650 0.86 MEN1 (0.45) ALDH1A1KDM4EGAANPSR1KMT2A
SCHEMBL22868640 0.84 L3MBTL1 (0.39) TDP1L3MBTL1ALDH1A1LMNATHRB

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