SCHEMBL17990785

SCHEMBL17990785

c1ccc(-c2nc(-n3c4ccccc4c4cc5c(ccc6c7ccccc7oc56)cc43)nc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 1/20 0.33
NUDT1 P36639 1/20 0.33

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
SCHEMBL17990781 0.96 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19961654 0.93 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18665802 0.89 MAPT (0.35) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL18665801 0.88 ALOX5 (0.32) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL18553138 0.88 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17990810 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17990787 0.86 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18868269 0.86 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18665956 0.86 MEN1 (0.34) MAPTKMT2AMEN1CSF1RPDGFRB
SCHEMBL17990646 0.86 MAPT (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed