SCHEMBL6686598

SCHEMBL6686598

OP(=S)(Cc1ccccc1)SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
IDO1 P14902 3/20 0.39
HPGD P15428 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 3/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL7074459 0.82 CA12 (0.42) CA12CA1CA2CA9IDO1
SCHEMBL8469287 0.81 CA12 (0.45) CA12CA1CA2CA9IDO1
SCHEMBL7079371 0.81 CA12 (0.45) CA12CA1CA2CA9IDO1
SCHEMBL3071085 0.78 CA12 (0.38) CA12CA1CA2CA9IDO1
SCHEMBL6830628 0.78 HPGD (0.41) CA12CA1CA2CA9IDO1
SCHEMBL3070009 0.78 IDO1 (0.45) CA12CA1CA2CA9IDO1
SCHEMBL3081281 0.77 CA12 (0.41) CA12CA1CA2CA9IDO1
SCHEMBL3078061 0.77 CA12 (0.41) CA12CA1CA2CA9IDO1
SCHEMBL6684403 0.76 HPGD (0.48) CA12CA1CA2CA9IDO1
SCHEMBL3073136 0.73 IDO1 (0.41) CA12CA1CA2CA9IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed