SCHEMBL10023937

SCHEMBL10023937

S=C(CC(=S)N1CCC1)N1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.46
FBP1 P09467 2/20 0.46
KDM4A O75164 1/20 0.46
ALDH1A1 P00352 4/20 0.43
PHGDH O43175 1/20 0.43
ALDH2 P05091 1/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL10023936 0.91 ALDH1A1 (0.55) MGLLFBP1KDM4AALDH1A1PHGDH
SCHEMBL10954952 0.75 MGLL (0.41) MGLLFBP1KDM4AALDH1A1PHGDH
SCHEMBL4602642 0.71
SCHEMBL10822547 0.69 ALDH1A1 (0.44) MGLLFBP1KDM4AALDH1A1PHGDH
SCHEMBL9529001 0.69 ALDH1A1 (0.50) MGLLFBP1KDM4AALDH1A1PHGDH
SCHEMBL1535830 0.69 ALDH1A1 (0.50) MGLLFBP1KDM4AALDH1A1PHGDH
SCHEMBL14340049 0.69 MGLL (0.88) MGLLFBP1KDM4AALDH1A1PHGDH
SCHEMBL23314068 0.67 ALDH1A1 (0.48) MGLLFBP1KDM4AALDH1A1PHGDH
SCHEMBL23314066 0.67 ALDH1A1 (0.48) MGLLFBP1KDM4AALDH1A1PHGDH
SCHEMBL21538410 0.67

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
US-8119316-B2 Thiuram tetrasulfide containing photogenerating layer XEROX CORPORATION (US) 2012-02-21 US disclosed
US-20090246658-A1 THIURAM TETRASULFIDE CONTAINING PHOTOGENERATING LAYER XEROX CORPORATION (US) 2009-10-01 US disclosed