SCHEMBL611481

SCHEMBL611481

CC(=O)c1ccc(-n2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 1.00
BAZ2B Q9UIF8 1/20 1.00
HTT P42858 1/20 0.69
ADH5 P11766 2/20 0.66
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
MAPT P10636 5/20 0.61
LMNA P02545 2/20 0.59
ENPP2 Q13822 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
KMT2A Q03164 2/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
MAOB P27338 1/20 0.56
NOTUM Q6P988 1/20 0.55

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
Trifluoromethanesulfonic Acid SCHEMBL5694136 0.87 CYP3A4 (0.76) CYP3A4BAZ2BHTTADH5HTR2A
Benzaldehyde SCHEMBL27623570 0.87 CYP3A4 (0.76) CYP3A4BAZ2BHTTADH5HTR2A
SCHEMBL10574724 0.85 CYP3A4 (0.74) CYP3A4BAZ2BHTTADH5HTR2A
SCHEMBL62049 0.84 ADH5 (0.90) CYP3A4BAZ2BHTTADH5HTR2A
SCHEMBL610424 0.82 CYP3A4 (0.70) CYP3A4BAZ2BHTTADH5HTR2A
Hydrochloric Acid SCHEMBL6152702 0.82 ADH5 (0.87) CYP3A4BAZ2BHTTADH5HTR2A
SCHEMBL27893085 0.82 ADH5 (0.87) CYP3A4BAZ2BHTTADH5HTR2A
SCHEMBL3097162 0.82 CYP3A4 (0.70) CYP3A4BAZ2BHTTADH5HTR2A
SCHEMBL1274293 0.82 CYP3A4 (0.70) CYP3A4BAZ2BHTTADH5HTR2A
SCHEMBL1022965 0.81 HTT (1.00) CYP3A4BAZ2BHTTADH5HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866748-A The preparation method of compound 厦门云凡医药科技有限公司 2017-06-20 CN claimed
US-6106599-A Inks XEROX CORPORATION (US) 2000-08-22 US claimed
US-5563263-A EPOXIDATION CATALYSTS HOECHST CELANESE CORPORATION (US) 1996-10-08 US claimed
US-4500540-A DIETETICS HOFFMANN-LA ROCHE INC. (US) 1985-02-19 US claimed
EP-3950724-B1 CONJUGATED DIENE COPOLYMER AND METHOD FOR MANUFACTURING CONJUGATED DIENE COPOLYMER ZEON CORP (JP) 2026-02-18 EP disclosed
EP-4552639-A1 COMPOUNDS FOR USE IN THE TREATMENT OF GASTROINTESTINAL STROMAL TUMOR (GIST) Universität Duisburg-Essen (DE) 2025-05-14 EP disclosed
US-12139572-B2 Conjugated diene copolymer and method for manufacturing conjugated diene copolymer ZS ELASTOMERS CO., LTD. (JP) 2024-11-12 US disclosed
EP-3604365-B1 CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL CO (JP) 2024-04-24 EP disclosed
CN-113748134-B Conjugated diene copolymer and method for producing conjugated diene copolymer 瑞住合成橡胶株式会社 2024-03-08 CN disclosed
CN-110461893-B Conjugated diene polymer and method for producing conjugated diene polymer 住友化学株式会社 2023-10-27 CN disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-4591594-A INSULIN LOWERING AGENTS HOFFMANN-LA ROCHE INC. (US) 1986-05-27 US disclosed
US-4500540-A DIETETICS HOFFMANN-LA ROCHE INC. (US) 1985-02-19 US disclosed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 EP disclosed
US-4376769-A Substituted imidazo thiazoles thiazines, thiazepines and thiazocines SCHERING CORPORATION (US) 1983-03-15 US disclosed
US-4353905-A CARDIOTONIC AGENTS WARNER-LAMBERT COMPANY (US) 1982-10-12 US disclosed
EP-0014929-B1 DIAGNOSTIC MEANS, PROCESS FOR ITS PREPARATION AND ITS USE IN DETERMINING LEUCOCYTES IN BODY FLUIDS Roche Diagnostics GmbH (DE) 1982-01-06 EP disclosed
US-4299917-A IMPREGNATION OF AN ABSORBENT CARRIER WITH A SULPHONPHTHALEIN ESTER AND AN ACTIVATOR BOEHRINGER MANNEHEIM GMBH (DE) 1981-11-10 US disclosed
EP-0014929-A1 Diagnostic means, process for its preparation and its use in determining leucocytes in body fluids Roche Diagnostics GmbH (DE) 1980-09-03 EP disclosed