SCHEMBL6683855

SCHEMBL6683855

NC(=O)N(SCc1ccccc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.48
NOS1 P29475 2/20 0.48
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
CYP2C19 P33261 2/20 0.44
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPRC P08575 1/20 0.41
CES2 O00748 1/20 0.40

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
SCHEMBL6683851 0.92 IDO1 (0.46) IDO1NOS1NOS3NOS2PLA2G10
SCHEMBL3076692 0.91 IDO1 (0.48) IDO1NOS1NOS3NOS2PLA2G10
SCHEMBL7080741 0.77 IDO1 (0.46) IDO1NOS1NOS3NOS2PLA2G10
SCHEMBL3071320 0.76 IDO1 (0.41) IDO1NOS1NOS3NOS2CYP2C19
SCHEMBL8728754 0.75 CYP2C19 (0.47) IDO1NOS1NOS3NOS2CYP2C19
Dibenzyl Disulfide SCHEMBL27966611 0.74 IDO1 (0.56) IDO1NOS1NOS3NOS2PLA2G10
Urea SCHEMBL27623582 0.74 CYP2C19 (0.61) IDO1NOS1NOS3NOS2PLA2G10
Carbamic Acid SCHEMBL28267319 0.74 CYP2C19 (0.61) IDO1NOS1NOS3NOS2PLA2G10
Dibenzyl Disulfide SCHEMBL28006296 0.74 IDO1 (0.56) IDO1NOS1NOS3NOS2PLA2G10
SCHEMBL3065468 0.73 IDO1 (0.42) IDO1NOS1NOS3NOS2PLA2G10

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