SCHEMBL4059898

SCHEMBL4059898

CCC(=O)Oc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.57
CDK8 P49336 1/20 0.57
KMT2A Q03164 7/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
ALOX15 P16050 2/20 0.50
FAAH O00519 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
ACHE P22303 1/20 0.49
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ELANE P08246 1/20 0.47

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
SCHEMBL29473371 1.00 CCNC (0.57) CCNCCDK8KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL6954216 0.98 CCNC (0.56) CCNCCDK8KMT2AMAPTLMNA
SCHEMBL29852290 0.86 KMT2A (0.56) CCNCCDK8KMT2AMAPTLMNA
SCHEMBL1973790 0.86 KMT2A (0.56) CCNCCDK8KMT2AMAPTLMNA
SCHEMBL31411163 0.85 ACHE (0.47) CCNCCDK8KMT2AMAPTLMNA
SCHEMBL27660501 0.84 KMT2A (0.51) CCNCCDK8KMT2AMAPTLMNA
SCHEMBL6604392 0.83 KMT2A (0.60) CCNCCDK8KMT2AMAPTLMNA
SCHEMBL29852314 0.83 KMT2A (0.60) CCNCCDK8KMT2AMAPTLMNA
SCHEMBL27453198 0.83 CCNC (0.55) CCNCCDK8KMT2AMAPTLMNA
SCHEMBL27454851 0.83 CCNC (0.48) CCNCCDK8KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108239089-A A kind of synthetic method of AVM hereinafter Batan sodium 浙江医药股份有限公司新昌制药厂 2018-07-03 CN claimed
CN-1856477-A Isoquinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN claimed
EP-4658667-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY Merck Sharp & Dohme LLC (US) 2025-12-10 EP disclosed
WO-2024163691-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC (US) 2024-08-08 WO disclosed
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
US-11770971-B2 Esters containing aromatic groups as solvents for organic electronic formulations MERCK PATENT GMBH (DE) 2023-09-26 US disclosed
US-11770971-B2 Esters containing aromatic groups as solvents for organic electronic formulations MERCK PATENT GMBH (DE) 2023-09-26 US disclosed
CN-114316187-B Low-density low-smoke-toxicity high-flame-retardance polyurethane rigid foam and preparation method thereof 万华化学(烟台)容威聚氨酯有限公司 2023-05-26 CN disclosed
CN-114787359-A Method for producing peptide containing unnatural amino acid 中外制药株式会社 2022-07-22 CN disclosed
EP-3391428-B1 ESTERS CONTAINING AROMATIC GROUPS AS SOLVENTS FOR ORGANIC ELECTRONIC FORMULATIONS MERCK PATENT GMBH (DE) 2022-06-29 EP disclosed
CN-114316187-A Low-density low-smoke-toxicity high-flame-retardance polyurethane rigid foam and preparation method thereof 万华化学(烟台)容威聚氨酯有限公司 2022-04-12 CN disclosed
CN-1248256-A Process for preparation of 4H-4-oxo-quinolizine-3-carboxylic acid derivatives ABBOTT LAB (US) 2000-03-22 CN disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN disclosed
CN-1130898-A Difluorostone antiviral analogs MERRELL DOW PHARMA (US) 1996-09-11 CN disclosed
CN-1030451-C Process for preparing benzothiazole derivatives EISAI CO LTD (JP) 1995-12-06 CN disclosed
CN-1112104-A Acetic acid derivatives HOFFMANN LA ROCHE (CH) 1995-11-22 CN disclosed
CN-1075480-A New aryl carbonylamino alkyl-dihydro-oxo pyridine compounds and production thereof and application HOECHST AG (US) 1993-08-25 CN disclosed
CN-1065457-A Benzothiazole derivant EISAI CO LTD (JP) 1992-10-21 CN disclosed
CN-1043125-A Be used as the aryl urea of the replacement of high-potency sweetener NUTRASWEET CO (US) 1990-06-20 CN disclosed
CN-86104284-A Be used for the treatment of 1 of cardiovascular disorder, the preparation method of 4-dihydrogen pyridine derivative 1987-04-01 CN disclosed