SCHEMBL546633

SCHEMBL546633

NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.68
CES1 P23141 1/20 0.68
LCK P06239 1/20 0.67
PLAU P00749 2/20 0.63
F2 P00734 1/20 0.63
PLG P00747 1/20 0.63
KLKB1 P03952 1/20 0.63
KLK1 P06870 1/20 0.63
PRSS1 P07477 1/20 0.63
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
EGFR P00533 1/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL29462782 1.00 CES2 (0.68) CES2CES1LCKPLAUF2
SCHEMBL26903783 1.00 CES2 (0.68) CES2CES1LCKPLAUF2
Hydrochloric Acid SCHEMBL22558829 0.98 CES2 (0.65) CES2CES1LCKPLAUF2
Hydrochloric Acid SCHEMBL30932950 0.98 CES2 (0.65) CES2CES1LCKPLAUF2
Hydrochloric Acid SCHEMBL8169297 0.98 CES2 (0.65) CES2CES1LCKPLAUF2
Hydrochloric Acid SCHEMBL8358165 0.98 CES2 (0.65) CES2CES1LCKPLAUF2
Oxalic Acid SCHEMBL8355001 0.94 PLAU (0.62) CES2CES1LCKPLAUF2
SCHEMBL607170 0.93 LCK (0.70) CES2CES1LCKPLAUF2
SCHEMBL30350858 0.93 LCK (0.70) CES2CES1LCKPLAUF2
SCHEMBL30277311 0.93 LCK (0.70) CES2CES1LCKPLAUF2

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 1990 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301736-B1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2025-10-08 EP claimed
WO-2025057535-A1 SEPARATION MEMBRANE 日東電工株式会社 2025-03-20 WO claimed
WO-2024176130-A1 TEAD- AND HER2-INHIBITOR COMBINATIONS FOR TREATING CANCER NOVARTIS AG (CH) 2024-08-29 WO claimed
CN-115381955-B Use of melanocortin receptor MC5R 中国科学技术大学 2024-05-17 CN claimed
CN-117843590-A 3-amino-4- (piperazin-1-yl) benzamide derivative, pharmaceutical composition containing same, and preparation method and application thereof 中国药科大学 2024-04-09 CN claimed
CN-110278711-B Tricyclosulfones as rory modulators 百时美施贵宝公司 2023-12-15 CN claimed
CN-116891472-A Amide derivative containing imidazole structure, and preparation method and application thereof 延边大学 2023-10-17 CN claimed
CN-116375549-A Method and system for synthesizing amide compound from nitrile compound 深圳湾实验室 2023-07-04 CN claimed
CN-116348455-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN claimed
EP-3613735-B1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-04-12 EP claimed
WO-1994021816-A1 TEST KITS AND METHODS FOR RAPIDLY TESTING FOR CONTAMINATION BY MICROORGANISMS ENVIROCON INTERNATIONAL INCORPORATED (US) 1994-09-29 WO claimed
US-5120746-A Inhibit gastric acid secretion TOYAMA CHEMICAL CO., LTD. (JP) 1992-06-09 US claimed
US-4643849-A ANTIULCER, ANTISECRETORY AGENTS TOYAMA CHEMICAL CO., LTD. (JP) 1987-02-17 US claimed
EP-0069294-B1 N-SUBSTITUTED 2 METHYLNAPHTHYL AMIDES, PROCESS FOR THEIR PREPARATION AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1985-01-02 EP claimed
EP-0069294-A1 N-substituted 2 methylnaphthyl amides, process for their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1983-01-12 EP claimed
EP-0009933-B1 AROMATIC AMIDE PLASTICIZER FOR IONIC POLYMERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1982-11-17 EP claimed
EP-0001617-B1 DIAZOTYPE MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-22 EP claimed
US-4279810-A Easily split substrates for the quantification of proteases KABI AB (SE) 1981-07-21 US claimed
US-4229337-A NEUTRALIZED SULFONATED ELASTOMER; HEAT RESISTANCE; TENSILE STRENGTH EXXON RESEARCH & ENGINEERING CO. (US) 1980-10-21 US claimed
EP-0009933-A1 Aromatic amide plasticizer for ionic polymers EXXON RESEARCH AND ENGINEERING COMPANY (US) 1980-04-16 EP claimed