SCHEMBL8764061

SCHEMBL8764061

Cc1ccc(C(C(C)C#N)C(C)C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
CYP2A6 P11509 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CHRNA7 P36544 1/20 0.38
ALOX5 P09917 1/20 0.37
ACHE P22303 3/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
STAT3 P40763 1/20 0.31
CYP19A1 P11511 1/20 0.31
KCNH2 Q12809 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL8763270 0.79 TRPA1 (0.48) ALDH1A1GAALMNAMAPTKDM4E
SCHEMBL958687 0.76 ALDH1A1 (0.44) ALDH1A1CYP2A6GAALMNATDP1
SCHEMBL3278040 0.73 ALDH1A1 (0.46) ALDH1A1CYP2A6GAALMNATDP1
SCHEMBL8035378 0.73 ALDH1A1 (0.59) ALDH1A1CYP2A6GAALMNATDP1
SCHEMBL8763336 0.72 ALDH1A1 (0.37) ALDH1A1CYP2A6GAALMNATDP1
SCHEMBL8762212 0.72 ALDH1A1 (0.37) ALDH1A1CYP2A6GAALMNATDP1
SCHEMBL1292738 0.72 ACHE (0.47) ALDH1A1GAALMNATDP1CHRNA7
SCHEMBL3984010 0.70 CHRNA7 (0.44) ALDH1A1CYP2A6GAALMNATDP1
SCHEMBL9501885 0.70 TRPA1 (0.60) ALDH1A1CYP2A6GAALMNATDP1
SCHEMBL8018943 0.70 ALDH1A1 (0.42) ALDH1A1CYP2A6GAALMNATDP1

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