SCHEMBL6686339

SCHEMBL6686339

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.56
EPHX1 P07099 1/20 0.47
CYP2D6 P10635 2/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX5 P09917 1/20 0.42
CTSD P07339 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SLC6A3 Q01959 3/20 0.41
DRD3 P35462 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
EDNRB P24530 1/20 0.41
MC4R P32245 1/20 0.41
CYP2C19 P33261 1/20 0.41
MC3R P41968 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
SCHEMBL6686015 0.88 SRC (0.50) SRCLMNA
SCHEMBL11777346 0.86 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL170040 0.85 SRC (0.67) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL27922212 0.84 SRC (0.54) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL1581315 0.81 SRC (0.76) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL11680362 0.77 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL6688665 0.77 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL9374736 0.77 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL11777339 0.77 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL9205835 0.77 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1

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-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed