SCHEMBL17991012

SCHEMBL17991012

c1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccc7ccccc7c6c5cc43)nc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.39
NUDT1 P36639 3/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
ADORA2A P29274 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL17991013 0.96 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL19636304 0.92 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL22893694 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17991006 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL19831888 0.87 NPC1 (0.32) MAPTLMNAPTGES
SCHEMBL17991028 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL18505464 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17991010 0.85 KDM4E (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17991026 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL19961653 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTNPSR1

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