SCHEMBL19260237

SCHEMBL19260237

COC(=O)c1ccc(CN2C(=O)CN(C(=O)O)c3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.58
HDAC1 Q13547 2/20 0.58
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
PTPN1 P18031 3/20 0.46
SIRT1 Q96EB6 1/20 0.46
GSK3B P49841 1/20 0.45
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45
IDH1 O75874 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.42

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
SCHEMBL19278659 0.85 HDAC1 (0.79) HDAC6HDAC1MEN1KMT2ANPC1
SCHEMBL31663910 0.85 HDAC1 (0.79) HDAC6HDAC1MEN1KMT2ANPC1
SCHEMBL19260245 0.84 HDAC6 (0.71) HDAC6HDAC1
SCHEMBL19260282 0.78 HDAC1 (0.73) HDAC6HDAC1MEN1KMT2ASIRT1
SCHEMBL8554042 0.76 L3MBTL1 (0.70) MEN1KMT2ALMNASIRT1ALDH1A1
SCHEMBL21606311 0.75 GSK3B (0.49) HDAC6MEN1KMT2ALMNAPTPN1
SCHEMBL23440090 0.74 PTPN1 (0.69) MEN1KMT2APTPN1ALDH1A1
SCHEMBL3908495 0.74 KMT2A (0.53) HDAC6HDAC1MEN1KMT2ALMNA
SCHEMBL19278555 0.73 HDAC6 (1.00) HDAC6HDAC1
SCHEMBL1366022 0.73 HDAC6 (0.64) HDAC6HDAC1MEN1KMT2ANPC1

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-3416633-A1 TETRAHYDROQUINOLINE SUBSTITUTED HYDROXAMIC ACIDS AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS The Board of Trustees of the University of Illinois (US) 2018-12-26 EP disclosed
WO-2017142883-A1 TETRAHYDROQUINOLINE SUBSTITUTED HYDROXAMIC ACIDS AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-08-24 WO disclosed