SCHEMBL17854677

SCHEMBL17854677

CCCn1c2ccccc2c2cc(-c3ccc4c5ccccc5n(CCC)c4c3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CNR2 P34972 5/20 0.50
TSPO P30536 2/20 0.49
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
HBB P68871 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.47
PTGER4 P35408 2/20 0.47
NPY5R Q15761 1/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44

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
SCHEMBL17854676 0.95 HPGD (0.63) HPGDALDH1A1CNR2TSPOKDM4E
SCHEMBL17854681 0.95 ALDH1A1 (0.55) HPGDALDH1A1CNR2KDM4EMAPT
SCHEMBL13086911 0.92 HPGD (0.60) HPGDALDH1A1CNR2TSPOKDM4E
SCHEMBL17461832 0.90 HPGD (0.62) HPGDALDH1A1CNR2TSPOKDM4E
SCHEMBL6374760 0.87 KDM4E (0.63) HPGDALDH1A1TSPOKDM4EMAPT
SCHEMBL13304763 0.85 HPGD (0.55) HPGDALDH1A1CNR2TSPOKDM4E
SCHEMBL15964262 0.84 KDM4E (0.56) HPGDALDH1A1TSPOKDM4EMAPT
SCHEMBL14107127 0.83 PSEN1 (0.59) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL31120926 0.83 HPGD (0.55) HPGDALDH1A1CNR2TSPOKDM4E
SCHEMBL24291977 0.83 ALDH1A1 (0.51) HPGDALDH1A1CNR2TSPOKDM4E

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-20160181524-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-23 US disclosed