SCHEMBL9617020

SCHEMBL9617020

CN(C)C(=O)SNC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL11572800 0.81 HDAC1 (0.49) HDAC3CA12CA1IDO1ALOX15
SCHEMBL27515367 0.80 ALOX15 (0.56) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9915084 0.79 HDAC3 (0.50) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9274738 0.76 ALOX15 (0.52) HDAC3CA12CA1IDO1ALOX15
SCHEMBL15281773 0.75 RAB9A (0.57) HDAC1HDAC6KDM4EGAAALDH1A1
SCHEMBL11570198 0.75 HDAC3 (0.50) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9915085 0.74 NPC1 (0.46) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9915160 0.74 MDM4 (0.54) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9915086 0.74 ALDH1A1 (0.49) HDAC3CA12CA1IDO1ALOX15
SCHEMBL10994871 0.74 HDAC1 (0.45) HDAC3CA12CA1IDO1ALOX15

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
JP-4210672-A None JP disclosed
JP-H04210672-A SULFENAMIDE DERIVATIVE AND PRODUCTION THEREOF AGENCY OF IND SCIENCE & TECHNOL 1992-07-31 JP disclosed