SCHEMBL8763303

SCHEMBL8763303

CC(SC#N)c1ccccc1C(C)SC#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
FAAH O00519 2/20 0.31
MGLL Q99685 1/20 0.31
TSHR P16473 4/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
HTR2B P41595 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
SCHEMBL8855875 0.84 CYP1A1 (0.31) CYP1A2
SCHEMBL2936982 0.79 TRPA1 (0.41) TSHRLMNAHPGDHIF1A
SCHEMBL8764217 0.78 TSHR (0.31) TSHRCA1CA2
SCHEMBL8763308 0.75 ESR1 (0.34)
SCHEMBL8763347 0.70
SCHEMBL8764219 0.70 TRPA1 (0.36) LMNAPTGS1
SCHEMBL29704594 0.68 ALDH1A1 (0.39) TSHRLMNA
SCHEMBL8763608 0.67 TSHR (0.42) GABRA1GABRB2FAAHMGLLTSHR
SCHEMBL28304508 0.67 GABRA1 (0.50) GABRA1GABRB2FAAHMGLLTSHR
SCHEMBL8763195 0.67 CYP1A1 (0.34) GABRA1GABRB2TSHRCYP1A2SLC6A2

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