SCHEMBL9505717

SCHEMBL9505717

CC(CN)(CN)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.65
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
MAPK1 P28482 1/20 0.44
KCNN4 O15554 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PRMT1 Q99873 1/20 0.43
KIF11 P52732 5/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL10154496 0.86 TAAR1 (0.56) TAAR1CYP2C19HIF1AMAPK1KCNN4
SCHEMBL11801078 0.84 TAAR1 (0.54) TAAR1CYP2C19HIF1AMAPK1KCNN4
SCHEMBL10505310 0.79 TAAR1 (0.65) TAAR1CYP2C19HIF1AMAPK1KCNN4
SCHEMBL460018 0.79 TAAR1 (0.65) TAAR1CYP2C19HIF1AMAPK1KCNN4
SCHEMBL323323 0.79 TAAR1 (1.00) TAAR1CYP2C19HIF1AMAPK1KCNN4
SCHEMBL17351152 0.78 TAAR1 (0.47) TAAR1CYP2C19HIF1AKIF11
Hydrochloric Acid SCHEMBL3241793 0.77 TAAR1 (0.62) TAAR1CYP2C19HIF1AMAPK1KCNN4
SCHEMBL77069 0.77 TAAR1 (0.62) TAAR1CYP2C19HIF1AMAPK1KCNN4
Hydrochloric Acid SCHEMBL3052766 0.77 TAAR1 (0.95) TAAR1CYP2C19HIF1AMAPK1KCNN4
SCHEMBL11738883 0.77 LMNA (0.55) TAAR1CYP2D6KIF11SMN1; SMN2ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992527-A Heat resistance, protective coatings, electronics AMOCO CORPORATION (US) 1991-02-12 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
EP-0311387-B1 AROMATIC AMINE RESINS, THEIR PRODUCTION PROCESS AND THERMOSETTING RESIN COMPOSITIONS MAKING USE OF THE SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-11 EP disclosed
EP-0342943-B1 THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-5145949-A Production process for making aromatic amine resins MITSUI TOATSU CHEMICALS, INC. (JP) 1992-09-08 US disclosed
US-5106953-A Reacting aromatic amines with bishalogenomethyl derivatives; curing agents or raw materials for polyamides MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-21 US disclosed
US-5051494-A A bismaleimide and an amino resin MITSUI TOATSU CHEMICALS, INC. (JP) 1991-09-24 US disclosed
US-5010161-A Of poly (phenylenebisalkylene) poly (phenylamine) with aldehyde, regenerated under hydrolysis, for use in moisture curable polyurethanes MITSUI TOATSU CHEMICALS, INC. (JP) 1991-04-23 US disclosed
US-4992527-A Heat resistance, protective coatings, electronics AMOCO CORPORATION (US) 1991-02-12 US disclosed
US-4973659-A HEAR RESISTANT FILMS, FIBERS, COMPOSITES AMOCO CORPORATION (US) 1990-11-27 US disclosed
US-4968780-A SOLUBLE IN N-METHYLPYRROLIDONE, HIGH GLASS TRANSITION TEMPERATURE, HEAT RESISTANT FILMS, FIBERS AND COMPOSITES AMOCO CORPORATION (US) 1990-11-06 US disclosed
US-4959443-A HIGH STRENGTH, REACTION OF ARALKYL ALCOHOL AND AROMATIC AMINE MITSUI TOATSU CHEMICALS, INC. (JP) 1990-09-25 US disclosed
EP-0375318-A2 Polyaldimine derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 EP disclosed
US-4937318-A Aromatic amine resins MITSUI TOATSU CHEMICALS, INC. (JP) 1990-06-26 US disclosed
EP-0342943-A1 Thermosetting resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-23 EP 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