SCHEMBL8777534

SCHEMBL8777534

COC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.55
ALDH1A1 P00352 8/20 0.52
TSHR P16473 5/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 4/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
TP53 P04637 2/20 0.42
GAA P10253 4/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL10349250 0.83 ALDH1A1 (0.55) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL3382197 0.81 SLC2A1 (0.55) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL8777640 0.80 SLC2A1 (0.42) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL11241267 0.77 ALDH1A1 (0.48) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL12297441 0.76 SLC2A1 (0.50) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL11234847 0.76 GAA (0.49) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL11796473 0.76 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL9491014 0.74 SLC2A1 (0.44) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL12299772 0.74 SLC2A1 (0.48) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL61574 0.74 SLC2A1 (0.71) SLC2A1ALDH1A1TSHRALOX15HSD17B10

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
EP-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
US-4349454-A ENCAPSULATION OF A HYDROPHOBIC-SOLVENT SOLUTION OF A DIAMINODIARYL METHANE SULFONE DERIVATIVE KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1982-09-14 US disclosed