SCHEMBL8763114

SCHEMBL8763114

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CA2 P00918 1/20 0.35
SGMS2 Q8NHU3 1/20 0.34
AR P10275 3/20 0.33
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.31
IMPDH2 P12268 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
SCHEMBL13439652 0.93 TDP1 (0.44) TSHRALDH1A1TDP1HSP90AA1HSP90AB1
SCHEMBL3919628 0.89 AR (0.43) ALDH1A1TDP1ARL3MBTL1SLC22A12
SCHEMBL3125324 0.85 TSHR (0.43) TSHRALDH1A1TDP1HSP90AA1HSP90AB1
SCHEMBL30966621 0.84 ACHE (0.36) TSHRALDH1A1TDP1HSP90AA1HSP90AB1
SCHEMBL14849750 0.84 HSP90AA1 (0.34) TSHRALDH1A1TDP1HSP90AA1HSP90AB1
SCHEMBL3161262 0.84 ALDH1A1 (0.58) TSHRALDH1A1TDP1HSP90AA1HSP90AB1
SCHEMBL10471530 0.84 TSHR (0.46) TSHRALDH1A1HSP90AA1HSP90AB1CA2
SCHEMBL30238802 0.84 CA1 (0.37) TSHRALDH1A1TDP1HSP90AA1HSP90AB1
SCHEMBL1605524 0.84 KCNN4 (0.41) TSHRALDH1A1TDP1HSP90AA1HSP90AB1
SCHEMBL31009042 0.84 HSP90AA1 (0.34) TSHRALDH1A1TDP1HSP90AA1HSP90AB1

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