SCHEMBL52708

SCHEMBL52708

NC(=O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
PARP10 Q53GL7 4/20 0.60
MAOB P27338 1/20 0.60
CA2 P00918 4/20 0.56
CA1 P00915 3/20 0.56
PTGS1 P23219 1/20 0.56
PARP1 P09874 3/20 0.55
TSHR P16473 2/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL12441973 1.00 CES2 (0.62) CES2CES1PARP10MAOBCA2
Bromide SCHEMBL27321813 0.97 CES2 (0.59) CES2CES1PARP10MAOBCA2
Hydrochloric Acid SCHEMBL2859581 0.97 CES2 (0.59) CES2CES1PARP10MAOBCA2
Hydrochloric Acid SCHEMBL3845508 0.97 CES2 (0.59) CES2CES1PARP10MAOBCA2
Hydrochloric Acid SCHEMBL4375910 0.97 CES2 (0.59) CES2CES1PARP10MAOBCA2
Benzene SCHEMBL27719819 0.95 PARP1 (0.64) CES2CES1PARP10MAOBCA2
SCHEMBL4187898 0.93 LTA4H (0.59) CES2CES1PARP10MAOBCA2
SCHEMBL1927476 0.93 BCL2L1 (0.64) CES2CES1PARP10MAOBCA2
Thiourea SCHEMBL28414185 0.93 PARP10 (0.55) CES2CES1PARP10MAOBCA2
Hydrochloric Acid SCHEMBL30685286 0.91 BCL2L1 (0.61) CES2CES1PARP10MAOBCA2

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

Appears in 2848 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743438-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS Aarti Industries Limited (IN) 2026-05-20 EP claimed
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP claimed
EP-3877366-B1 NOVEL SUBSTITUTED TRICYCLIC COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-01-28 EP claimed
EP-4665705-A1 A PROCESSES FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE CORRESPONDING BENZOTRICHLORIDE COMPOUNDS Aarti Industries Limited (IN) 2025-12-24 EP claimed
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 EP claimed
CN-116616298-B Sterilization composition containing fluorophenylether amide and benziothiazolinone and application thereof 陕西西大华特科技实业有限公司 2025-04-29 CN claimed
WO-2025068995-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS AARTI INDUSTRIES LIMITED (IN) 2025-04-03 WO claimed
CN-119595686-A Method for in-situ detection of pesticide residues on leaf surfaces of crops 华中师范大学 2025-03-11 CN claimed
CN-119504475-A N-alkylamine compound, preparation method and application 南阳师范学院 2025-02-25 CN claimed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 EP claimed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US claimed
WO-1999064044-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE 5-HT RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
US-5985867-A TREATING HIV INFECTION DUPONT PHARMACEUTICALS COMPANY (US) 1999-11-16 US claimed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO claimed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO claimed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP claimed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO claimed
WO-1993014062-A1 ANTHELMINTIC β-KETOAMIDES THE UPJOHN COMPANY (US) 1993-07-22 WO claimed
EP-0037990-A1 Phenyl quinolizidines, corresponding pharmaceutical preparations, the preparation of the active compounds and corresponding starting compounds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-10-21 EP claimed