SCHEMBL9872349

SCHEMBL9872349

NC(=S)C(=S)N(N1CCCC1)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL27867382 0.77 CA1 (0.35) F2KDM4EALDH1A1TP53CYP1A2
SCHEMBL4435493 0.69 L3MBTL1 (0.39) F2ALDH1A1MAPTHPGD
SCHEMBL11241425 0.69 MGLL (0.33) ALDH1A1
SCHEMBL28595715 0.67 MGLL (0.40) KDM4EALDH1A1TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL25312951 0.67 L3MBTL1 (0.38) F2ALDH1A1MAPTHPGD
SCHEMBL9872779 0.65 L3MBTL1 (0.37)
SCHEMBL28602672 0.65 MGLL (0.42) KDM4EALDH1A1TP53CYP1A2CYP3A4
SCHEMBL27811955 0.62 MGLL (0.31) ALDH1A1
SCHEMBL1713380 0.61 F2 (0.30) F2
SCHEMBL451682 0.60 ALDH1A1 (0.42) KDM4EALDH1A1TP53CYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP claimed
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed