SCHEMBL5170237

SCHEMBL5170237

Cc1ccc(C[C@@]2(Nc3cnc(/C=C/C(=O)O)cn3)CCNC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 15/20 0.33
AKR1C4 P17516 10/20 0.33
AKR1C2 P52895 10/20 0.33
AKR1C1 Q04828 4/20 0.33
LMNA P02545 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KLF5 Q13887 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5167688 0.94 AKR1C3 (0.32) AKR1C3AKR1C4AKR1C2AKR1C1LMNA
SCHEMBL5191421 0.91 HDAC3 (0.39) LMNAHDAC3HDAC1HDAC2HDAC6
SCHEMBL5172911 0.90 HDAC1 (0.37) LMNAHDAC3HDAC1HDAC2HDAC6
SCHEMBL5195227 0.90 RAB9A (0.32) AKR1C3AKR1C4AKR1C2LMNAHDAC3
SCHEMBL5195209 0.90 SLC6A2 (0.32) AKR1C3AKR1C4AKR1C2HDAC3HDAC1
SCHEMBL5197786 0.90 SLC6A2 (0.36) LMNAHDAC3HDAC1HDAC2HDAC6
SCHEMBL5197780 0.85 HDAC3 (0.38) LMNAHDAC3HDAC1HDAC2HDAC6
SCHEMBL5171832 0.85 RAB9A (0.31) LMNAHDAC3HDAC1HDAC2HDAC6
SCHEMBL5169616 0.85 MAPKAPK2 (0.31) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL5172395 0.85 GAA (0.35) HDAC3HDAC1HDAC2HDAC6ALDH1A1

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-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 WO disclosed