SCHEMBL8763091

SCHEMBL8763091

Cc1cccc(C(C)N=C=S)c1C(C)N=C=S

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.47
TRPA1 O75762 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ESR1 P03372 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
SCHEMBL8763363 0.82 CYP3A4 (0.33) CA1CA2CA7CA9ESR1
SCHEMBL8762417 0.79 MIF (0.43) MIFTRPA1TRPV1
SCHEMBL332408 0.78 MIF (0.65) MIFTRPA1TRPV1CA1CA2
SCHEMBL3886974 0.71 MIF (0.52) MIF
SCHEMBL3886978 0.71 MIF (0.52) MIF
SCHEMBL3890926 0.71 MIF (0.52) MIF
SCHEMBL5357565 0.70 MIF (0.55) MIFTRPA1TRPV1CA1CA2
SCHEMBL8855753 0.69 MIF (0.53) MIFTRPA1TRPV1
SCHEMBL8763916 0.68 MIF (0.52) MIFTRPA1TRPV1
SCHEMBL1019702 0.66 GABRA1 (0.43) MIFTRPV1CA1CA2ESR1

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