SCHEMBL8763198

SCHEMBL8763198

CC(C)(N=C=S)C(c1ccccc1)C(C)(C)N=C=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.47
RIPK1 Q13546 2/20 0.33
TRPA1 O75762 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
AOC3 Q16853 1/20 0.32
CACNA1F O60840 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
CACNA1D Q01668 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL8763353 0.82 CHRNA7 (0.33)
SCHEMBL11701075 0.76 MIF (0.47) MIFRIPK1TRPA1ALDH1A1CYP3A4
SCHEMBL6889221 0.68 MIF (0.39) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2241061 0.68 MIF (0.39) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763183 0.68 MIF (0.39) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4624051 0.68 MIF (0.57) MIFRIPK1TRPA1ALDH1A1CYP3A4
SCHEMBL1927915 0.68 RIPK1 (0.43) RIPK1LMNAAOC3CACNA1FCHRM2
SCHEMBL10154493 0.66 RIPK1 (0.46) MIFRIPK1CYP3A4KDM4ELMNA
SCHEMBL331446 0.66 MIF (0.36) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL29732720 0.64 RIPK1 (0.43) RIPK1ALDH1A1KDM4ELMNAAOC3

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