SCHEMBL7787409

SCHEMBL7787409

C/C=C1\CN(C(=O)c2ccc(OC)cc2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HDAC1 Q13547 3/20 0.41
HPGD P15428 1/20 0.41
RYR2 Q92736 2/20 0.41
GPR183 P32249 4/20 0.40
HDAC3 O15379 1/20 0.40
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC8 Q9BY41 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) HDAC6PRMT5WDR77HDAC1HPGD
SCHEMBL7796321 0.85 HDAC6 (0.50) HDAC6HDAC1HPGDHDAC3ALDH1A1
SCHEMBL7795270 0.79 HPGD (0.43) HPGDALDH1A1L3MBTL1
SCHEMBL7796483 0.79 HDAC6 (0.47) HDAC6PRMT5WDR77HDAC1
SCHEMBL7796728 0.76 HDAC1 (0.53) HDAC6CA1CA2HDAC1HDAC3
SCHEMBL1173715 0.76 HDAC6 (0.51) HDAC6CA1CA2PRMT5WDR77
SCHEMBL7787411 0.74 HRH4 (0.48) CA1CA2HPGDALDH1A1L3MBTL1
SCHEMBL7799082 0.72 HDAC6 (0.38) HDAC6ALDH1A1
SCHEMBL7795271 0.72 NPC1 (0.47) HDAC6HDAC1HDAC3L3MBTL1HDAC8
SCHEMBL7796322 0.71 GAA (0.41) HDAC6HDAC1HPGDALDH1A1L3MBTL1

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