SCHEMBL538480

SCHEMBL538480

Cc1c(C)c(N)c2ccccc2c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
ACHE P22303 3/20 0.44
TSHR P16473 5/20 0.43
CYP3A4 P08684 3/20 0.43
PIK3CA P42336 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
GLA P06280 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
NQO2 P16083 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL30148931 1.00 CYP1A2 (0.45) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL1834490 0.92 TSHR (0.41) CYP1A2ACHETSHRCYP3A4PIK3CA
Ammonia Solution, Strong SCHEMBL8197954 0.89 TSHR (0.40) CYP1A2ACHETSHRCYP3A4PIK3CA
Hydrochloric Acid SCHEMBL1508302 0.89 KDM4E (0.40) CYP1A2ACHETSHRCYP3A4PIK3CA
Bromide SCHEMBL11552674 0.89 TSHR (0.40) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL18923214 0.88 CYP1A2 (0.41) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL31180772 0.86 ACHE (0.39) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL3679087 0.86 ACHE (0.39) CYP1A2ACHETSHRCYP3A4PIK3CA
SCHEMBL10870053 0.85 PKM (0.50) CYP1A2ACHETSHRALDH1A1KDM4E
SCHEMBL5749741 0.85 ACHE (0.48) CYP1A2ACHETSHRCYP3A4PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1518543-A Pyrazole derivatives and their use as protein kinase inhibitors �Ʒ� 2004-08-04 CN claimed
US-5059672-A Polyurea coatings; high tensile strength, chemical and corrosion resistant THARE COAT, INC. (US) 1991-10-22 US claimed
WO-2024128009-A1 ADHESIVE COMPOSITION, MULTILAYER BODY AND PACKAGING MATERIAL DIC株式会社 2024-06-20 WO disclosed
US-11926767-B2 Adhesive composition, laminate, and package DIC CORPORATION (JP) 2024-03-12 US disclosed
CN-111433683-B Toner for developing electrostatic image and method for producing the same 日本瑞翁株式会社 2023-11-24 CN disclosed
US-20230079465-A1 ADHESIVE COMPOSITION, LAMINATE, AND PACKAGE DIC CORPORATION (JP) 2023-03-16 US disclosed
CN-115003660-A Adhesive composition, laminate and package DIC株式会社 2022-09-02 CN disclosed
EP-3623870-B1 IMAGE FORMING APPARATUS AND TONER SET RICOH CO LTD (JP) 2022-05-04 EP disclosed
US-11281117-B2 Toner for electrostatic-image development and method for manufacturing same ZEON CORPORATION (JP) 2022-03-22 US disclosed
EP-3418811-B1 TONER, DEVELOPER, PROCESS CARTRIDGE, IMAGE FORMING APPARATUS, IMAGE FORMING METHOD, AND METHOD FOR MANUFACTURING TONER RICOH CO LTD (JP) 2021-07-28 EP disclosed
EP-3144728-B1 TONER BINDER, AND TONER SANYO CHEMICAL IND LTD (JP) 2021-04-21 EP disclosed
EP-0245864-A2 Cyclohexanedimethanol/diamine mixtures as RIM extenders THE DOW CHEMICAL COMPANY (US) 1987-11-19 EP disclosed
EP-0219709-A2 Polymethylene polyphenylamine modified diamine chain extenders and polyurea elastomers therefrom THE DOW CHEMICAL COMPANY (US) 1987-04-29 EP disclosed
US-4659747-A HEAT RESISTANCE THE DOW CHEMICAL COMPANY (US) 1987-04-21 US disclosed
EP-0075130-B1 IMPROVED REACTION INJECTION MOLDING PROCESS THE DOW CHEMICAL COMPANY (US) 1986-09-17 EP disclosed
EP-0185369-A2 Polyamide-polyurea polymers THE DOW CHEMICAL COMPANY (US) 1986-06-25 EP disclosed
US-4552945-A REACTION INJECTION MOLDING, POLYURETHANES THE DOW CHEMICAL COMPANY (US) 1985-11-12 US disclosed
EP-0075130-A2 Improved reaction injection molding process THE DOW CHEMICAL COMPANY (US) 1983-03-30 EP disclosed
US-4374210-A MOLDING MATERIALS; LONG GELATION TIME; STOICHIOMETRY; INJECTION MOLDING THE UPJOHN COMPANY (US) 1983-02-15 US disclosed
US-4296212-A MOLDING MATERIALS THE UPJOHN COMPANY (US) 1981-10-20 US disclosed