SCHEMBL8930774

SCHEMBL8930774

[NH]C(=O)C(N=C=S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.48
CYP2D6 P10635 1/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 4/20 0.36
MAPK1 P28482 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL11626465 0.85 MIF (0.52) MIFCYP2D6SRCLMNAMAPK1
SCHEMBL8930776 0.81 MIF (0.48) MIFCYP2D6SRCLMNAMAPK1
SCHEMBL6860696 0.70 MIF (0.48) MIFCYP2D6SRCLMNAMAPK1
SCHEMBL41909 0.70 MIF (0.57) MIFCYP2D6SRCLMNAMAPK1
SCHEMBL14000099 0.70 MIF (0.57) MIFLMNA
SCHEMBL15561277 0.69 MIF (0.51) MIFLMNA
SCHEMBL10958466 0.69 GRM8 (0.37) MIFLMNAL3MBTL1
SCHEMBL10903921 0.69 MIF (0.39) MIFLMNACES2CES1
SCHEMBL2001199 0.69 MIF (0.61) MIFCYP2D6
SCHEMBL1247431 0.69 MIF (0.61) MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997014443-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO INTERNATIONAL B.V. (NL) 1997-04-24 WO disclosed