SCHEMBL8763142

SCHEMBL8763142

CC(C)(c1ccccc1CCN=C=S)c1ccccc1CCN=C=S

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 0.50
TRPA1 O75762 2/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP2A13 Q16696 1/20 0.50
EPAS1 Q99814 1/20 0.50
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
NAAA Q02083 5/20 0.41
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8763628 0.83 GABRA1 (0.34) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL8764141 0.82 MIF (0.47) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL332409 0.81 MIF (0.65) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL10434109 0.77 MIF (0.55) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL8763654 0.76 MIF (0.59) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL5357568 0.73 MIF (0.55) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL6961980 0.73 MIF (0.55) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL13525491 0.72 MIF (0.55) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL4703229 0.72 MIF (0.61) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL4624047 0.71 MIF (0.47) MIFTRPA1CYP2E1CYP2A6HIF1A

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 5 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