SCHEMBL6174032

SCHEMBL6174032

COC(=O)C(Cc1ccc(Br)cc1)C[N+](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MME P08473 6/20 0.46
POLB P06746 1/20 0.45
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACACB O00763 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
Iodide SCHEMBL401190 0.98 HDAC1 (0.46) HDAC1HDAC6MMEPOLBESR1
SCHEMBL6169888 0.83 FOLH1 (0.45) POLBKDM4EGLAMEN1KMT2A
SCHEMBL1887761 0.83 HDAC1 (0.50) HDAC1HDAC6MMEPOLBESR1
Iodide SCHEMBL397423 0.82 FOLH1 (0.44) POLBKDM4EGLAMEN1KMT2A
SCHEMBL397308 0.79 HDAC1 (0.47) HDAC1HDAC6MMEPOLBESR1
SCHEMBL6171868 0.77 LTA4H (0.61)
SCHEMBL6946548 0.77 PTPRB (0.58) HDAC1HDAC6POLBESR1ESR2
Iodide SCHEMBL8206967 0.76 LTA4H (0.60)
SCHEMBL4773227 0.76 KMT2A (0.53) HDAC1HDAC6POLBESR1ESR2
SCHEMBL1749708 0.76 HDAC1 (0.52) HDAC1HDAC6POLBESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888341-B1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
EP-0888341-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1997032874-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1997-09-12 WO disclosed