SCHEMBL6184569

SCHEMBL6184569

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ccccn2)s1.O=C(O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 3/20 0.58
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
PRSS12 P56730 1/20 0.48
MAPK11 Q15759 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
SCHEMBL5227369 0.96 NPC1 (0.64) NPC1RAB9AMAPTKDM4EHDAC3
SCHEMBL3786249 0.85 SMN1; SMN2 (0.45) MAPTMETAP1SMN1; SMN2TP53BRD9
SCHEMBL5222427 0.81 HDAC1 (0.53) NPC1RAB9AMAPTKDM4EHDAC3
SCHEMBL5225946 0.79 HDAC3 (0.57) NPC1RAB9AMAPTHDAC3HDAC4
SCHEMBL14507341 0.77 HDAC3 (0.48) NPC1RAB9AMAPTKDM4EHDAC3
SCHEMBL3791523 0.77 SMN1; SMN2 (0.47) KDM4EPPARGMETAP1SMN1; SMN2TP53
SCHEMBL29631004 0.76 KDM4E (1.00) NPC1RAB9AMAPTKDM4EHDAC3
SCHEMBL373105 0.76 KDM4E (1.00) NPC1RAB9AMAPTKDM4EHDAC3
SCHEMBL2832783 0.76 TRPV1 (0.60) HDAC1MAPK14METAP1BRD9
SCHEMBL13912299 0.75 HPGD (0.49) MAPTKDM4EMAPK11MAPK14METAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 WO disclosed