SCHEMBL6831480

SCHEMBL6831480

Cc1ccc(N(C(=N)N)C(=O)N=S)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN2A Q99250 1/20 0.33
IDO1 P14902 2/20 0.33
HTR3E A5X5Y0 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
HTR3B O95264 1/20 0.32
PLAU P00749 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B1 P14061 1/20 0.32

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
SCHEMBL3077185 0.80 ALOX5 (0.42) ALOX5ALDH1A1MEN1KMT2AIDO1
SCHEMBL7079951 0.79 ALDH1A1 (0.39) ALOX5ALDH1A1MEN1KMT2AIDO1
SCHEMBL6830626 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL3064753 0.74 CYP1A2 (0.31) ALOX5MAPTTSHRF2
SCHEMBL3063259 0.72 KIF11 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL158673 0.68 ALDH1A1 (0.44) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL6830722 0.67 SIGMAR1 (0.42) ALOX5ALDH1A1KDM4EGAAF2
Hydrochloric Acid SCHEMBL5809829 0.66 IDO1 (0.44) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL133847 0.65 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL11682581 0.64 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTMEN1

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 2 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-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed