SCHEMBL2309035

SCHEMBL2309035

CC(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
UQCRB P14927 2/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NAMPT P43490 1/20 0.52
PFKFB3 Q16875 2/20 0.51
FABP1 P07148 1/20 0.49
LIMK2 P53671 2/20 0.49
ADAMTS4 O75173 1/20 0.49
ERAP1 Q9NZ08 1/20 0.48
KDM1A O60341 1/20 0.48

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
SCHEMBL20117565 0.82 PTPRC (0.47) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10093389 0.82 POLB (0.54) POLBUQCRBHDAC3HDAC4HDAC1
SCHEMBL10093392 0.81 POLB (0.51) POLBUQCRBHDAC3HDAC4HDAC1
SCHEMBL2309959 0.81 POLB (0.51) POLBUQCRBHDAC3HDAC4HDAC1
SCHEMBL2236940 0.81 CYP19A1 (0.54) POLBNAMPTGAAMEN1KMT2A
SCHEMBL10093362 0.81 L3MBTL1 (0.46) POLBNAMPTERAP1ALDH1A1
SCHEMBL812691 0.81 POLB (0.67) POLBUQCRBHDAC3HDAC4HDAC1
SCHEMBL10169497 0.80 HTR6 (0.59) POLBERAP1GAAHPGDMEN1
SCHEMBL14125611 0.79 CA12 (0.63) POLBUQCRBHDAC3HDAC4HDAC1
SCHEMBL6297524 0.79 HSD17B2 (0.70) POLBUQCRBHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349990-A1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE Pimco 2664 Limited (GB) 2011-08-03 EP disclosed