SCHEMBL19260282

SCHEMBL19260282

COC(=O)c1ccc(CN2CCN(C(=O)O)c3ccccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
BRD4 O60885 3/20 0.60
SIRT1 Q96EB6 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 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
SCHEMBL19278566 0.85 HDAC1 (1.00) HDAC1HDAC6BRD4SIRT1MEN1
SCHEMBL29220892 0.84 BRD4 (0.77) HDAC1HDAC6BRD4SIRT1KMT2A
SCHEMBL19260279 0.81 HDAC1 (0.62) HDAC1HDAC6BRD4SIRT1MEN1
SCHEMBL3856028 0.80 HDAC6 (0.60) HDAC1HDAC6SIRT1MEN1KMT2A
SCHEMBL19260237 0.78 HDAC6 (0.58) HDAC1HDAC6SIRT1MEN1KMT2A
SCHEMBL26159147 0.78 HDAC1 (0.72) HDAC1HDAC6SIRT1HDAC3HDAC2
SCHEMBL19260249 0.78 HDAC1 (0.72) HDAC1HDAC6SIRT1ALDH1A1MAPT
SCHEMBL3970143 0.77 HDAC1 (0.72) HDAC1HDAC6SIRT1ALDH1A1MAPT
SCHEMBL3964825 0.77 HDAC1 (0.56) HDAC1HDAC6SIRT1MEN1KMT2A
SCHEMBL3964822 0.76 HDAC1 (0.55) HDAC1HDAC6SIRT1MEN1KMT2A

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