SCHEMBL9821895

SCHEMBL9821895

CNC(=O)CN(C(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.57
HDAC1 Q13547 5/20 0.57
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
CNR2 P34972 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
REN P00797 2/20 0.44
KCNH2 Q12809 1/20 0.44
GLA P06280 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL8860050 0.83 ALDH1A1 (0.43) HDAC6HDAC1ALDH1A1GLANPC1
SCHEMBL219829 0.80 ALDH1A1 (0.47) HDAC6HDAC1LTB4R2ALDH1A1GLA
SCHEMBL4153727 0.78 ALDH1A1 (0.63) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL8555208 0.78 ALDH1A1 (0.47) ALDH1A1NPC1RAB9APAX8SMN1; SMN2
SCHEMBL5967066 0.77 HDAC1 (0.48) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL9366543 0.77 SMN1; SMN2 (0.56) HDAC6HDAC1TRPM8CNR2LTB4R2
SCHEMBL16125599 0.76 HDAC1 (0.60) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL9295793 0.76 TP53 (0.62) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL60236 0.75 MEN1 (0.65) HDAC6HDAC8CNR2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6208128 0.74 MEN1 (0.63) HDAC6HDAC8CNR2ALDH1A1LMNA

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
EP-0194464-B1 AMINO ACID DERIVATIVES AND USE THEREOF FOR THE PREPARATION OF AN ANTICONVULSANT Research Corporation Technologies, Inc. (a Delaware corp.) (US) 1991-04-03 EP disclosed