SCHEMBL11626465

SCHEMBL11626465

O=C(O)C(N=C=S)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.52
SRC P12931 2/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL8930776 0.85 MIF (0.48) MIFSRCCYP2D6LMNAMAPK1
SCHEMBL8930774 0.85 MIF (0.48) MIFSRCCYP2D6LMNAMAPK1
SCHEMBL10958466 0.83 GRM8 (0.37) MIFLMNAL3MBTL1
SCHEMBL10903921 0.83 MIF (0.39) MIFLMNACES2CES1
SCHEMBL3578270 0.82 SRC (0.46) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL8627633 0.82 SRC (0.46) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11630781 0.78 L3MBTL1 (0.46) LMNACES2CES1TDP1L3MBTL1
SCHEMBL11629461 0.77 PTGS1 (0.44) MIFCYP2D6LMNA
SCHEMBL11623603 0.76 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL10425174 0.76 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2

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
US-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed