SCHEMBL2593641

SCHEMBL2593641

CC(C)(CN)c1cccc(C(C)(C)CN)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.70
PRKCQ Q04759 1/20 0.44
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KIF11 P52732 4/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CYP1A2 P05177 2/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PRMT1 Q99873 1/20 0.33
SLC6A4 P31645 1/20 0.33
PNMT P11086 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
SCHEMBL22299378 0.93 TAAR1 (0.61) TAAR1PRKCQESR1ESR2KIF11
SCHEMBL8227760 0.89 TAAR1 (0.57) TAAR1PRKCQKIF11HTR2AHTR2C
Hydrochloric Acid SCHEMBL3911403 0.88 TAAR1 (0.55) TAAR1KIF11HTR2AHTR2CHTR2B
SCHEMBL2227553 0.85 TAAR1 (0.57) TAAR1PRKCQKIF11HTR2AHTR2C
SCHEMBL21277730 0.85 TAAR1 (0.57) TAAR1PRKCQKIF11CYP2C19HTR2A
SCHEMBL2260664 0.85 TAAR1 (0.57) TAAR1PRKCQKIF11HTR2AHTR2C
SCHEMBL14991287 0.85 TAAR1 (0.57) TAAR1PRKCQKIF11HTR2AHTR2C
SCHEMBL3978037 0.85 TAAR1 (0.57) TAAR1PRKCQESR1ESR2KIF11
Hydrochloric Acid SCHEMBL16007841 0.85 TAAR1 (0.57) TAAR1PRKCQKIF11CYP2C19CYP3A4
SCHEMBL6977873 0.85 TAAR1 (0.57) TAAR1PRKCQESR1ESR2KIF11

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557985-A1 Preparation of aromatic polyamides from CO, aromatic diamine and di(trifluoro methane sulfonate) EASTMAN CHEMICAL COMPANY (US) 1993-09-01 EP claimed
EP-0557987-A1 Preparation of aromatic poly(imide-amide)s from co, primary diamine and di(trifluoro methane sulfonate)containing phthalimide group EASTMAN KODAK COMPANY (US) 1993-09-01 EP claimed
EP-0557984-A2 Method for the preparation of aromatic polyimides EASTMAN CHEMICAL COMPANY (US) 1993-09-01 EP claimed
US-5216118-A Preparation of aromatic polyimides from CO, primary diamine and bis (halo aromatic carboxylic acid ester) EASTMAN KODAK COMPANY (US) 1993-06-01 US claimed
US-5214123-A Metal-mediated carbonylation and coupling of diamine and phthalimide ring-containing di/trifluoromethanesulfonate/ compound in solvent with platinum, palladium or nickel catalyst EASTMAN KODAK COMPANY (US) 1993-05-25 US claimed
US-5210175-A Catalyst of platinum, palladium or nickel EASTMAN KODAK COMPANY (US) 1993-05-11 US claimed
US-5104946-A For heat resistant low dielectric coatings OCCIDENTAL CHEMICAL CORPORATION (US) 1992-04-14 US claimed
EP-0459386-A1 Preparation of polyamides EASTMAN KODAK COMPANY (US) 1991-12-04 EP claimed
EP-0438751-A2 Solutions of polyimidesiloxanes in butyrolactone OCCIDENTAL CHEMICAL CORPORATION (US) 1991-07-31 EP claimed
US-5003037-A Films for protective coatings for dielectrics, electronics AMOCO CORPORATION (US) 1991-03-26 US claimed
US-4992527-A Heat resistance, protective coatings, electronics AMOCO CORPORATION (US) 1991-02-12 US claimed
US-4975521-A SOLUBLE, FILM FORMING AROMATIC POLYMER MADE FROM DIAMINE AND DIACID AMOCO CORPORATION (US) 1990-12-04 US claimed
US-4973659-A HEAR RESISTANT FILMS, FIBERS, COMPOSITES AMOCO CORPORATION (US) 1990-11-27 US claimed
US-4968780-A SOLUBLE IN N-METHYLPYRROLIDONE, HIGH GLASS TRANSITION TEMPERATURE, HEAT RESISTANT FILMS, FIBERS AND COMPOSITES AMOCO CORPORATION (US) 1990-11-06 US claimed
US-4946934-A Useful for fiber making, coatings and films AMOCO CORPORATION (US) 1990-08-07 US claimed
JP-2060934-A None JP disclosed
JP-5345822-A None JP disclosed
EP-0311387-A2 Aromatic amine resins, their production process and thermosetting resin compositions making use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-12 EP disclosed
EP-0153606-A2 Process for the production of polyurethane urea elastomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-09-04 EP disclosed
US-4482690-A AROMATIC DIAMINE AS CHAIN EXTENDER AIR PRODUCTS AND CHEMICALS, INC. (US) 1984-11-13 US disclosed