SCHEMBL6830787

SCHEMBL6830787

S=P(S)(S)N(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.33
FAAH O00519 1/20 0.32
PHGDH O43175 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
SCHEMBL8016485 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL7081836 0.74 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL8370301 0.67 HTT (0.59) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL8532403 0.64 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL10824030 0.64 SRC (0.46) L3MBTL1MEN1KMT2ATDP1KDM4E
SCHEMBL6688016 0.64 TSHR (0.44) ALDH1A1CYP3A4CYP2C19HPGDMGLL
SCHEMBL2309806 0.63 MEN1 (0.48) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL3082968 0.63 MEN1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL18889454 0.63 HTT (0.54) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL3077418 0.63 SRC (0.46) L3MBTL1MEN1KMT2ATDP1KDM4E

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