SCHEMBL8764074

SCHEMBL8764074

CC(C)(c1ccccc1CSC#N)c1ccccc1CSC#N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 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
SCHEMBL8764187 0.79 CYP1A2 (0.42) CYP1A1CYP1A2CYP1B1
SCHEMBL8763130 0.76 ALDH1A1 (0.43) CYP1A1CYP1A2CYP1B1
SCHEMBL6244378 0.74 SMN1; SMN2 (0.47) CYP1A2
SCHEMBL19773800 0.74 MGLL (0.39) CYP1A1CYP1A2CYP1B1
SCHEMBL8764041 0.73 CYP1A2 (0.38) CYP1A1CYP1A2CYP1B1
SCHEMBL8763205 0.72 IDO1 (0.38) CYP1A1CYP1A2CYP1B1
SCHEMBL20738393 0.71 CHRM2 (0.43) CYP1A1CYP1A2CYP1B1
SCHEMBL16105766 0.70 GABRA1 (0.48)
SCHEMBL20738269 0.69 CYP1A1 (0.45) CYP1A1CYP1A2CYP1B1
SCHEMBL20738327 0.69 L3MBTL1 (0.47)

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