SCHEMBL20121823

SCHEMBL20121823

Bc1c(B)c(B)c(Nc2cccc3c2oc2ccccc23)c(B)c1B

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AHR P35869 1/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MAOA P21397 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
CYP2C19 P33261 1/20 0.35
DYRK1A Q13627 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 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
SCHEMBL4090324 0.86 ALDH1A1 (0.47) ALOX5MAPTHPGDL3MBTL1GAA
SCHEMBL24126343 0.82 AHR (0.46) ALOX5MAPTHPGDL3MBTL1GAA
SCHEMBL21523272 0.82 MAPT (0.54) ALOX5MAPTHPGDL3MBTL1GAA
SCHEMBL2521923 0.79 KDM4E (0.57) ALOX5MAPTHPGDGAAMEN1
SCHEMBL4085709 0.78 EPHX2 (0.51) ALOX5MAPTHPGDGAAMEN1
SCHEMBL20832518 0.78 ALDH1A1 (0.42) ALOX5MAPTHPGDL3MBTL1GAA
SCHEMBL29520633 0.78 EPHX2 (0.51) ALOX5MAPTHPGDGAAMEN1
SCHEMBL4190194 0.78 ALDH1A1 (0.60) MAPTHPGDL3MBTL1GAAMEN1
SCHEMBL16544435 0.77 AHR (0.47) ALOX5LMNAALDH1A1SMN1; SMN2AHR
SCHEMBL20751980 0.75 ALOX5 (0.42) ALOX5MAPTHPGDL3MBTL1GAA

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-9966535-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-08 US disclosed