SCHEMBL10981306

SCHEMBL10981306

O=C(NSc1ccccc1O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
HDAC3 O15379 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.45
ALOX15 P16050 1/20 0.45
HDAC1 Q13547 1/20 0.45
CA9 Q16790 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GSTA1 P08263 1/20 0.44
ERCC1 P07992 1/20 0.42

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
SCHEMBL11611837 0.98 GAA (0.46) GAAHDAC3CA12CA1IDO1
SCHEMBL28343144 0.78 ALOX15 (0.58) GAAHDAC3CA12CA1IDO1
SCHEMBL18628853 0.77 HDAC3 (0.41) GAAHDAC3CA12CA1IDO1
SCHEMBL9332916 0.77 TSHR (0.42) GAACA12CA1ALOX15CA9
SCHEMBL27502838 0.76 NPC1 (0.53) GAAHDAC3CA12CA1IDO1
SCHEMBL11091729 0.75 HSD17B10 (0.51) GAAALOX15HSD17B10RAB9ANPC1
SCHEMBL3946799 0.73 ALOX15 (0.58) GAAHDAC3CA12CA1IDO1
SCHEMBL11262828 0.72 NPC1 (0.48) GAAHDAC3CA12CA1IDO1
SCHEMBL27515367 0.71 ALOX15 (0.56) GAAHDAC3CA12CA1IDO1
SCHEMBL5723909 0.70 HPGD (0.67) GAAHDAC1HDAC6MAPTERCC1

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-20160114633-A1 PNEUMATIC TIRE AND METHOD FOR MANUFACTURING THE SAME TOYO TIRE & RUBBER CO., LTD. (JP) 2016-04-28 US disclosed
EP-0157079-A2 Process and product for decreasing the viscosity of elastomers BAYER AG (DE) 1985-10-09 EP disclosed