SCHEMBL249865

SCHEMBL249865

Cc1ccc(N)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
ALOX15 P16050 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 7/20 0.44
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP2A6 P11509 1/20 0.41
KMT2A Q03164 2/20 0.40
CA1 P00915 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL3583094 0.84 AR (0.53) CYP3A4ALOX15TDP1SMN1; SMN2TP53
SCHEMBL60977 0.82 ALOX15 (0.52) CYP3A4ALOX15TDP1SMN1; SMN2TP53
SCHEMBL28967098 0.81 CYP3A4 (0.56) CYP3A4ALOX15TDP1SMN1; SMN2TP53
SCHEMBL1003862 0.78 ALDH1A1 (0.46) ALDH1A1TSHRCYP2A6KDM4EPKM
SCHEMBL8321394 0.77 TDP1 (0.52) CYP3A4ALOX15TDP1SMN1; SMN2TP53
SCHEMBL12225260 0.77 TDP1 (0.52) CYP3A4ALOX15TDP1SMN1; SMN2TP53
SCHEMBL5072719 0.76 TDP1 (0.48) CYP3A4ALOX15TDP1SMN1; SMN2ALDH1A1
SCHEMBL101714 0.76 TSHR (0.52) ALOX15TDP1TP53ALDH1A1TSHR
SCHEMBL615129 0.76 KDM4E (0.55) CYP3A4ALOX15TDP1SMN1; SMN2THRB
SCHEMBL3478696 0.76 GRM2 (0.48) ALDH1A1TSHRCYP1A2CYP2A6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176746-B Method for preparing bisphenol A and heterocyclic compound by using waste PC 浙江大学 2025-05-30 CN claimed
CN-119176746-A Method for preparing bisphenol A and heterocyclic compound by using waste PC 浙江大学 2024-12-24 CN claimed
CN-118440013-A Preparation method of quinazoline diketone compound 安顺学院 2024-08-06 CN claimed
CN-108640919-B Matrine derivative and sophoridine derivative containing aryl amidine or aminoquinoline structure and preparation method thereof 广西大学 2020-09-08 CN claimed
CN-119176746-B Method for preparing bisphenol A and heterocyclic compound by using waste PC 浙江大学 2025-05-30 CN disclosed
CN-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术(石家庄)有限公司 2025-01-10 CN disclosed
CN-119176746-A Method for preparing bisphenol A and heterocyclic compound by using waste PC 浙江大学 2024-12-24 CN disclosed
CN-116496224-B 4-Quinazolinone hydroxamic acid derivative, pharmaceutical composition and application thereof 武汉思瓴生物科技有限公司 2024-11-01 CN disclosed
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN disclosed
CN-118440013-A Preparation method of quinazoline diketone compound 安顺学院 2024-08-06 CN disclosed
CN-116496224-A 4-quinazolinone hydroxamic acid derivative, pharmaceutical composition and application thereof 武汉思瓴生物科技有限公司 2023-07-28 CN disclosed
CN-113121455-B Method for efficiently catalyzing and converting carbon dioxide into quinazoline diketone compound under normal temperature and normal pressure by using eutectic solvent 廊坊师范学院 2023-07-21 CN disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed
EP-0083009-A1 Dispersion dyestuffs BASF Aktiengesellschaft (DE) 1983-07-06 EP disclosed
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP disclosed
EP-0023770-A1 Cationic pyridone azo dyestuffs, certain novel coupling components from which they are derived and processes for the manufacture of the dyestuffs and the coupling components IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-11 EP disclosed
US-4217271-A Basic azo dyestuffs containing a n-picolinium alkylene amino phenyl group IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 US disclosed
US-4160643-A FOR POLYMERS OF ACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 US disclosed
US-3987192-A ANTIALLERGENS AND ANTIANAPHYLAXID; 2'-CYANO-OXANILIC ACID THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3966793-A ORTHO-AMINOARYL KETIMINES CLIN MIDY (FR) 1976-06-29 US disclosed