SCHEMBL20068680

SCHEMBL20068680

COC(=O)c1ccc(Br)cc1-c1cccc2cc3c(cc12)c1cccc2c4ccccc4n3c21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.40
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
NR4A2 P43354 4/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RECQL P46063 1/20 0.36
PLEC Q15149 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B3 P37058 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 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
SCHEMBL18302008 0.80 SLC6A3 (0.54) SLC6A3MAPTKDM4EABCG2ALDH1A1
SCHEMBL19890671 0.75 SLC6A3 (0.46) SLC6A3MAPTKDM4EABCG2ALDH1A1
SCHEMBL20071436 0.73 SLC6A3 (0.42) SLC6A3MAPTKDM4EALDH1A1SLC6A2
SCHEMBL18553364 0.73 SLC6A3 (0.57) SLC6A3MAPTKDM4EABCG2ALDH1A1
SCHEMBL16219714 0.71 SLC6A3 (0.50) SLC6A3MAPTKDM4EABCG2ALDH1A1
SCHEMBL20068643 0.70 KMT2A (0.37) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL21102265 0.70 SLC6A3 (0.49) SLC6A3MAPTKDM4EABCG2ALDH1A1
SCHEMBL17883195 0.70 NR4A2 (0.55) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL20068641 0.69 CYP2A6 (0.43) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL20068467 0.69 CYP2A6 (0.43) MAPTKDM4EALDH1A1HPGDKMT2A

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
WO-2018070824-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-04-19 WO disclosed