SCHEMBL6548070

SCHEMBL6548070

CC(C#N)(CSC(=S)c1ccccc1)SC(=S)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
CTSL P07711 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3383990 0.84 LMNA (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21482392 0.82 LMNA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL237620 0.81 CTSS (0.32) CTSSCTSKNPC1RAB9ASMN1; SMN2
SCHEMBL15669159 0.79 CTSS (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4659778 0.79 ESR2 (0.32) LMNA
SCHEMBL237868 0.79 ALDH1A1 (0.36) CTSSCTSKNPC1RAB9ASMN1; SMN2
SCHEMBL466361 0.78 NR4A2 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14865070 0.78 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15042772 0.77 ALDH1A1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15669163 0.77 CTSS (0.31) CTSSCTSKRAB9ALMNACTSL

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
WO-2004011505-A1 PROCESS FOR THE COPOLYMERIZATION OF A-OLEFINS WITH VINYL MONOMERS STICHTING DUTCH POLYMER INSTITUTE (NL) 2004-02-05 WO disclosed
EP-1384729-A1 Process for the radical coplymerisation of alpha-olefins with vinyl monomers Dutch Polymer Institute (NL) 2004-01-28 EP disclosed