SCHEMBL8763191

SCHEMBL8763191

O=CNCc1ccccc1CNC=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.62
ADH1C P00326 1/20 0.62
ADH1A P07327 1/20 0.62
ADH7 P40394 1/20 0.62
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
CA12 O43570 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 4/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.34
MPO P05164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.34
MEN1 O00255 1/20 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
SCHEMBL30595834 1.00 ADH1B (0.62) ADH1BADH1CADH1AADH7TSHR
SCHEMBL8763256 0.93 ADH1B (0.56) ADH1BADH1CADH1AADH7TSHR
SCHEMBL5546697 0.91 ADH1B (0.54) ADH1BADH1CADH1AADH7TSHR
SCHEMBL18567145 0.89 ADH1B (0.52) ADH1BADH1CADH1AADH7TSHR
SCHEMBL8379179 0.86 ADH1B (0.54) ADH1BADH1CADH1AADH7TSHR
SCHEMBL4990040 0.84 TSHR (0.65) ADH1BADH1CADH1AADH7TSHR
SCHEMBL21148683 0.84 ADH1B (0.52) ADH1BADH1CADH1AADH7TSHR
SCHEMBL514207 0.84 NPC1 (0.55) ADH1BADH1CADH1AADH7CYP2D6
SCHEMBL8564731 0.84 ADH1B (0.52) ADH1BADH1CADH1AADH7TSHR
SCHEMBL514395 0.84 LMNA (0.55) ADH1BADH1CADH1AADH7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57025322-A None JP disclosed
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
EP-0492145-B1 Process for producing xylylene diisocyanate MITSUBISHI GAS CHEMICAL CO (JP) 1995-02-01 EP 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-5196572-A Thermal decomposition of xylylene dicarbamate with tin and/or antimony containing catalyst MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-03-23 US disclosed
EP-0492145-A2 Process for producing xylylene diisocyanate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-07-01 EP 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
JP-S5725322-A EPOXY RESIN COMPOSITION TOSHIBA CORP 1982-02-10 JP disclosed