SCHEMBL6682347

SCHEMBL6682347

N=P(S)(S)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CTSD P07339 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 3/20 0.39
PTGS2 P35354 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
IDO1 P14902 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6138691 0.78 ALDH1A1 (0.45) ALDH1A1TDP1HSD17B10CTSDKDM4E
SCHEMBL7076211 0.74 IDO1 (0.43) ALDH1A1TDP1HSD17B10CTSDKDM4E
SCHEMBL6832573 0.74 KDM4E (0.50) ALDH1A1TDP1HSD17B10CTSDKDM4E
SCHEMBL6831560 0.70 CA9 (0.48) HSD17B10KDM4ETSHRPTGS2NPSR1
SCHEMBL6832574 0.70 NPSR1 (0.41) ALDH1A1TDP1HSD17B10CTSDKDM4E
SCHEMBL6683596 0.69 ALDH1A1 (0.40) ALDH1A1TDP1HSD17B10CTSDKDM4E
SCHEMBL2384713 0.67 NPSR1 (0.47) ALDH1A1TDP1HSD17B10CTSDKDM4E
SCHEMBL10797763 0.67 MEN1 (0.56) ALDH1A1TDP1HSD17B10CTSDKDM4E
SCHEMBL1491874 0.65 NPSR1 (0.56) ALDH1A1TDP1HSD17B10CTSDKDM4E
Diphenylamine SCHEMBL28173609 0.64 HSD17B10 (0.92) ALDH1A1TDP1HSD17B10CTSDKDM4E

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 5 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-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED 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