SCHEMBL8763180

SCHEMBL8763180

CCc1c(C#N)cccc1Cc1cccc(C#N)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.40
GABRB2 P47870 4/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL7790350 0.90 GABRA1 (0.41) GABRA1GABRB2TSHRMAPTLMNA
SCHEMBL16771350 0.85 TSHR (0.46) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16884620 0.85 GABRA1 (0.38) GABRA1GABRB2TSHRMAPTCYP2C9
SCHEMBL22447106 0.85 TSHR (0.36) GABRA1GABRB2TSHRMAPTLMNA
SCHEMBL16953662 0.85 TSHR (0.36) GABRA1GABRB2TSHRMAPTLMNA
SCHEMBL16960684 0.82 S1PR1 (0.38) GABRA1GABRB2TSHRCYP2D6CYP2C9
SCHEMBL16959910 0.82 ALDH1A1 (0.37) TSHRMAPTLMNATP53CYP1A2
SCHEMBL16962350 0.82 LMNA (0.34) GABRA1GABRB2TSHRMAPTLMNA
SCHEMBL11022034 0.81 ALDH1A1 (0.44) TSHRMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16957400 0.79 S1PR1 (0.42) GABRA1GABRB2TSHRCYP2D6CYP2C9

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