SCHEMBL4674428

SCHEMBL4674428

O=C(O)c1ccc(NCc2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
NR4A2 P43354 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL7828370 0.87 HDAC6 (0.43) CA1CA2HDAC1HDAC3HDAC4
SCHEMBL6359842 0.85 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC6POLB
SCHEMBL7830008 0.83 RNASEH1 (0.62) HDAC1HDAC3HDAC4HDAC6HPGD
SCHEMBL21450438 0.81 MMP3 (0.47) KMT2AMEN1POLBKDM4EHPGD
SCHEMBL27575922 0.81 CFD (0.54) CA1CA2KMT2AMEN1POLB
SCHEMBL6356788 0.81 MEN1 (0.56) HDAC1HDAC3HDAC4HDAC6KMT2A
SCHEMBL28198399 0.74 DAO (0.54) KMT2AMEN1POLBRAB9AKDM4E
SCHEMBL5154303 0.73 IDO1 (0.43)
SCHEMBL4255759 0.72 SCD (0.56) HDAC1HDAC3HDAC6KMT2AMEN1
SCHEMBL7818276 0.71 NPC1 (0.47) CA2HDAC1HDAC3HDAC4HDAC6

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-1532134-B1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-06-04 EP disclosed
EP-1532134-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-05-25 EP disclosed
WO-2004007477-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-01-22 WO disclosed