SCHEMBL8930776

SCHEMBL8930776

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.48
EPHX1 P07099 1/20 0.44
CYP2C19 P33261 1/20 0.39
CYP2D6 P10635 2/20 0.38
SRC P12931 1/20 0.38
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5 P09917 1/20 0.37
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36

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) MIFCYP2D6SRCCYP1A2LMNA
SCHEMBL8930774 0.81 MIF (0.48) MIFEPHX1CYP2D6SRCLMNA
SCHEMBL10943161 0.75 EPHX1 (0.44) EPHX1CYP2C19CYP2D6SRCCYP1A2
SCHEMBL14000099 0.74 MIF (0.57) MIFDPP4F2LMNA
SCHEMBL1172682 0.72 SLC6A3 (0.44) EPHX1CYP2C19CYP2D6SRCCYP1A2
SCHEMBL11543708 0.70 LMNA (0.45) EPHX1CYP2C19CYP2D6SRCCYP1A2
SCHEMBL9788843 0.70 LMNA (0.45) EPHX1CYP2C19CYP2D6SRCCYP1A2
SCHEMBL6073034 0.70 LMNA (0.45) EPHX1CYP2C19CYP2D6SRCCYP1A2
SCHEMBL6073029 0.70 LMNA (0.45) EPHX1CYP2C19CYP2D6SRCCYP1A2
SCHEMBL29053976 0.70 EPHX1 (0.41) EPHX1CYP2C19CYP2D6SRCCYP1A2

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