SCHEMBL8763999

SCHEMBL8763999

S=C=NCC(CN=C=S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 10/20 0.48
TRPA1 O75762 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CYP2E1 P05181 1/20 0.45
CYP2A6 P11509 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP2A13 Q16696 1/20 0.45
EPAS1 Q99814 1/20 0.45
NAAA Q02083 4/20 0.40
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
HTR2A P28223 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
XPO1 O14980 1/20 0.34

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
SCHEMBL6956846 0.88 MIF (0.53) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8987427 0.85 MIF (0.40) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1247579 0.84 MIF (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8764131 0.79 MIF (0.49) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3119964 0.79 LMNA (0.47) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL25332409 0.79 LMNA (0.47) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4699559 0.79 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL331343 0.78 MIF (0.65) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2139577 0.74 MIF (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8987415 0.74 MIF (0.46) 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