SCHEMBL4629104

SCHEMBL4629104

c1ccc(N(c2ccc3ccccc3c2N(c2ccccc2)c2cccc3ccccc23)c2cccc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.43
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 1/20 0.35
HPRT1 P00492 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 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
SCHEMBL1648720 0.91 SIGMAR1 (0.44) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29349889 0.91 SIGMAR1 (0.44) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL31448672 0.89 SIGMAR1 (0.45) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL6135817 0.87 SIGMAR1 (0.35) SIGMAR1ALDH1A1HSD17B10CYP1A2HIF1A
SCHEMBL13250555 0.87 SIGMAR1 (0.49) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30799092 0.87 SIGMAR1 (0.51) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL292397 0.87 SIGMAR1 (0.51) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL3831129 0.85 ALDH1A1 (0.42) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL4650694 0.85 SIGMAR1 (0.47) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL13250571 0.85 SIGMAR1 (0.47) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1920479-A1 ORGANIC PHOSPHORESCENT LIGHT EMITTING DEVICE EASTMAN KODAK COMPANY (US) 2008-05-14 EP disclosed
WO-2007027440-A1 ORGANIC PHOSPHORESCENT LIGHT EMITTING DEVICE EASTMAN KODAK COMPANY (US) 2007-03-08 WO disclosed
EP-1702370-A2 WHITE OLED DEVICES WITH COLOR FILTER ARRAYS Eastman Kodak Company (US) 2006-09-20 EP disclosed
WO-2005069397-A2 WHITE OLED DEVICES WITH COLOR FILTER ARRAYS EASTMAN KODAK COMPANY (US) 2005-07-28 WO disclosed