SCHEMBL2407780

SCHEMBL2407780

O=C(NO)c1ccc(CCNS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC2 Q92769 1/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
PKM P14618 7/20 0.47
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA1 P00915 1/20 0.46
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 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
SCHEMBL2406927 0.77 PKM (0.47) HDAC6HDAC8KMT2AMEN1PKM
SCHEMBL2410992 0.76 HDAC6 (0.59) HDAC6HDAC8HDAC2KMT2AMEN1
SCHEMBL2411710 0.74 PRMT1 (0.68) HDAC6HDAC8HDAC2KMT2AMEN1
SCHEMBL20314701 0.73 MEN1 (0.59) KMT2AMEN1PKMCA12CA2
SCHEMBL2413993 0.72 HDAC6 (0.58) HDAC6HDAC8HDAC2KMT2AMEN1
SCHEMBL30626125 0.71 AKR1C3 (0.58) HDAC6HDAC8HDAC2KMT2AMEN1
SCHEMBL4923521 0.70 POLB (0.72) HDAC6HDAC8HDAC2KMT2AMEN1
SCHEMBL28781641 0.69 PKM (0.56) KMT2AMEN1PKMCA12KDM4E
SCHEMBL2408423 0.68 HDAC8 (0.47) HDAC6HDAC8HDAC2KMT2AMEN1
SCHEMBL12707728 0.67 KMT2A (0.80) KMT2AMEN1CA12KDM4EMAPT

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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed