SCHEMBL7796321

SCHEMBL7796321

C/C=C1/CN(C(=O)c2ccc(-c3ccccc3)cc2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.50
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HDAC8 Q9BY41 4/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL7795811 0.87 POLB (0.40) HDAC6POLBMEN1KMT2AHPGD
SCHEMBL7787409 0.85 HDAC6 (0.47) HDAC6HPGDHDAC8ALDH1A1HDAC1
SCHEMBL7796971 0.81 ALDH1A1 (0.43) HDAC6POLBKMT2AHPGDHSP90AA1
SCHEMBL7796483 0.81 HDAC6 (0.47) HDAC6SMN1; SMN2HDAC1
SCHEMBL7796728 0.80 HDAC1 (0.53) HDAC6HDAC8HDAC1HDAC3HDAC4
SCHEMBL7796322 0.80 GAA (0.41) HDAC6POLBMEN1KMT2AHPGD
SCHEMBL7795270 0.79 HPGD (0.43) KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7796324 0.79 HDAC6 (0.63) HDAC6KMT2AHDAC8HDAC1HDAC3
SCHEMBL7787411 0.78 HRH4 (0.48) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL7796577 0.77 HDAC1 (0.49) HDAC6KMT2AHPGDMAPK1HDAC8

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-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed