SCHEMBL2635549

SCHEMBL2635549

Cc1[c]ccc(C(=O)NO)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.52
HDAC8 Q9BY41 6/20 0.52
HDAC1 Q13547 9/20 0.49
KDM4E B2RXH2 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
IDO1 P14902 1/20 0.42
ALOX15 P16050 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NCOR2 Q9Y618 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
SCHEMBL743658 0.85 HDAC8 (0.47) HDAC6HDAC8HDAC2
SCHEMBL753676 0.78 ALDH1A1 (0.43) KDM4ECA12CA1ALOX15CA9
SCHEMBL4064595 0.78 CYP2A6 (0.42)
SCHEMBL7988618 0.77
SCHEMBL1100872 0.77 CA1 (0.48) KDM4ECA12CA1ALOX15CA9
SCHEMBL195987 0.76 PARP1 (0.48) KDM4ECA1HSD17B10
SCHEMBL745428 0.73 ALDH1A1 (0.41)
SCHEMBL1636144 0.73 ATM (0.42) KDM4E
SCHEMBL3894955 0.72 L3MBTL1 (0.55) KDM4EHSD17B10
SCHEMBL4954905 0.70 ALDH1A1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3245273-A1 BENZOTHIENOTHIOPHENE ISOINDIGO POLYMERS BASF SE (DE) 2017-11-22 EP disclosed
WO-2016113403-A1 BENZOTHIENOTHIOPHENE ISOINDIGO POLYMERS BASF SE (DE) 2016-07-21 WO disclosed
EP-2569340-A1 POLYPROPYLENE COMPOSITION SUITABLE FOR EXTRUSION COATING Borealis AG (AT) 2013-03-20 EP disclosed
WO-2012150019-A1 POLYPROPYLENE FOR FOAM AND POLYPROPYLENE FOAM BOREALIS AG (AT) 2012-11-08 WO disclosed
WO-2011141070-A1 POLYPROPYLENE COMPOSITION SUITABLE FOR EXTRUSION COATING BOREALIS AG (AT) 2011-11-17 WO disclosed