SCHEMBL17990779

SCHEMBL17990779

c1ccc(-c2nc(-n3c4ccccc4c4c5ccc6oc7ccccc7c6c5ccc43)nc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.41
ADORA2A P29274 2/20 0.37
KMT2A Q03164 4/20 0.36
NUDT1 P36639 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL17368319 0.96 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17368321 0.94 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21028753 0.93 HPGD (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17381070 0.92 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15497564 0.91 HPGD (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17368322 0.90 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17990778 0.90 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17990784 0.90 HPGD (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16919418 0.89 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17990795 0.89 ALDH1A1 (0.44) 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