SCHEMBL7797062

SCHEMBL7797062

C/C=C1/CN(C(=O)c2ccc(-c3ccccn3)s2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
KDM4E B2RXH2 2/20 0.41
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CHRNA7 P36544 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL7796473 0.85 L3MBTL1 (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1174353 0.79 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7796483 0.78 HDAC6 (0.47) HDAC1HDAC6MAPT
SCHEMBL7796728 0.78 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7796971 0.77 ALDH1A1 (0.43) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7796321 0.77 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7796324 0.75 HDAC6 (0.63) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7795811 0.74 POLB (0.40) HDAC1HDAC6HDAC8KDM4EMAPT
SCHEMBL7787411 0.74 HRH4 (0.48) NPC1RAB9AMAPT
SCHEMBL7796577 0.73 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC7

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