SCHEMBL7796473

SCHEMBL7796473

C/C=C1/CN(C(=O)c2ccccn2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
RBP4 P02753 4/20 0.40
NAMPT P43490 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE4B Q07343 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7797062 0.85 HDAC1 (0.53) HDAC6CHRNA7HDAC3HDAC4HDAC1
SCHEMBL7796477 0.82 GRM5 (0.39) HDAC6HDAC3HDAC1
SCHEMBL7796971 0.80 ALDH1A1 (0.43) NAMPTHDAC6ALDH1A1PDE4BHDAC3
SCHEMBL7796321 0.80 HDAC6 (0.50) HDAC6SMN1; SMN2ALDH1A1HDAC3HDAC4
SCHEMBL7796483 0.80 HDAC6 (0.47) HDAC6SMN1; SMN2HDAC1
SCHEMBL7796728 0.80 HDAC1 (0.53) L3MBTL1HDAC6CHRNA7HDAC3HDAC4
SCHEMBL7796324 0.78 HDAC6 (0.63) NAMPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL7795811 0.78 POLB (0.40) HDAC6ALDH1A1HDAC1HDAC8KMT2A
SCHEMBL7787411 0.77 HRH4 (0.48) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7796577 0.77 HDAC1 (0.49) L3MBTL1HDAC6SMN1; SMN2ALDH1A1HDAC3

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