SCHEMBL8764141

SCHEMBL8764141

CC(C)(c1ccccc1CN=C=S)c1ccccc1CN=C=S

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 11/20 0.47
TRPA1 O75762 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP2A13 Q16696 1/20 0.36
EPAS1 Q99814 1/20 0.36
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAAA Q02083 2/20 0.33

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
SCHEMBL4624047 0.89 MIF (0.47) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763142 0.82 MIF (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2336911 0.81 MIF (0.47) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141390 0.80 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL29616337 0.80 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL27561861 0.75 GRIN2B (0.45) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL13525501 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2564569 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763355 0.74 MIF (0.56) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4780020 0.71 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed