SCHEMBL8326329

SCHEMBL8326329

C[C@H](c1ccc(/C=C/C(=O)NOC2CCCCO2)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
STAT1 P42224 1/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
KDM4E B2RXH2 3/20 0.38
TGFBR1 P36897 1/20 0.37

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
SCHEMBL8323979 1.00 SMN1; SMN2 (0.43) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL8319266 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTSTAT1
SCHEMBL8324563 0.81 HDAC1 (0.63) LMNANPC1RAB9AMAPTPOLB
SCHEMBL8325183 0.80 HDAC1 (0.40) SMN1; SMN2NPC1RAB9AMAPTSTAT1
SCHEMBL8324583 0.80 KMT2A (0.49) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL8325372 0.79 HDAC1 (0.58) SMN1; SMN2NPC1RAB9AMAPTSTAT1
SCHEMBL5043996 0.78 HDAC1 (0.61) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL8250337 0.78 HDAC1 (0.61) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL8324616 0.77 HDAC1 (0.45) SMN1; SMN2MAPTPOLBHDAC1HDAC8
SCHEMBL4258903 0.77 MGLL (0.46) SMN1; SMN2NPC1RAB9AMAPTPOLB

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