SCHEMBL9626237

SCHEMBL9626237

CN(C)c1ccc(C(c2ccc(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.71
ALDH1A1 P00352 8/20 0.65
TSHR P16473 6/20 0.65
ALOX15 P16050 3/20 0.65
HSD17B10 Q99714 2/20 0.65
MAPK1 P28482 5/20 0.63
CYP3A4 P08684 4/20 0.63
TDP1 Q9NUW8 3/20 0.63
MAPT P10636 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
CYP1A2 P05177 1/20 0.63
PHLPP2 Q6ZVD8 1/20 0.63
TP53 P04637 2/20 0.50
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2A13 Q16696 1/20 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
SCHEMBL61574 1.00 SLC2A1 (0.71) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL7110610 0.90 SLC2A1 (0.61) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL13172474 0.90 SLC2A1 (0.61) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL9626206 0.90 ALDH1A1 (0.71) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL61350 0.90 SLC2A1 (0.61) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL24099554 0.90 ALDH1A1 (0.71) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL14046263 0.88 ALDH1A1 (0.73) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL22157650 0.88 SLC2A1 (0.59) SLC2A1ALDH1A1TSHRALOX15HSD17B10
Water SCHEMBL10498815 0.88 SLC2A1 (0.59) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL5011743 0.88 SLC2A1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156912-B1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-13 EP disclosed
US-4729671-A FOR FROZEN FOODS AND DRUGS, METHANE DYES MITSUI TOATSU CHEMICALS, INC. (JP) 1988-03-08 US disclosed
EP-0156912-A1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-10-09 EP disclosed