SCHEMBL8325372

SCHEMBL8325372

C[C@H](c1ccc(/C=C/C(=O)NO)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.58
HDAC8 Q9BY41 9/20 0.58
HDAC6 Q9UBN7 9/20 0.58
HDAC3 O15379 8/20 0.58
HDAC4 P56524 8/20 0.58
HDAC7 Q8WUI4 8/20 0.58
HDAC2 Q92769 8/20 0.58
HDAC10 Q969S8 8/20 0.58
HDAC11 Q96DB2 8/20 0.58
HDAC9 Q9UKV0 8/20 0.58
HDAC5 Q9UQL6 8/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 2/20 0.54
STAT1 P42224 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL8319266 0.89 SMN1; SMN2 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8325628 0.88 SMN1; SMN2 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8325032 0.88 SMN1; SMN2 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8326329 0.79 SMN1; SMN2 (0.43) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8323979 0.79 SMN1; SMN2 (0.43) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL16756243 0.75 ALPL (0.58) SMN1; SMN2NPC1RAB9AKMT2ANPSR1
SCHEMBL16756501 0.75 ALPL (0.58) SMN1; SMN2NPC1RAB9AKMT2ANPSR1
SCHEMBL3397595 0.75 ALPL (0.58) SMN1; SMN2NPC1RAB9AKMT2ANPSR1
SCHEMBL4631676 0.74 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL4631682 0.74 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed