SCHEMBL162357

SCHEMBL162357

COC(=O)Nc1nc2ccccc2n1C(=O)NCCCCCC#N

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
TSHR P16473 1/20 0.74
ASAH1 Q13510 10/20 0.51
HDAC6 Q9UBN7 1/20 0.38
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HIF1A Q16665 1/20 0.37
BRD4 O60885 2/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29430304 1.00 ALDH1A1 (0.74) ALDH1A1TSHRASAH1HDAC6GFER
SCHEMBL9578770 0.87 TSHR (0.91) ALDH1A1TSHRASAH1NPSR1SAE1
SCHEMBL13174825 0.86 ALDH1A1 (0.78) ALDH1A1TSHRASAH1HDAC6
Benomyl SCHEMBL3962065 0.86 TSHR (0.98) ALDH1A1TSHRASAH1NPSR1SAE1
Benomyl SCHEMBL8379451 0.85 TSHR (1.00) ALDH1A1TSHRASAH1NPSR1SAE1
Benomyl SCHEMBL29379464 0.85 TSHR (1.00) ALDH1A1TSHRASAH1NPSR1SAE1
Benomyl SCHEMBL15681 0.85 TSHR (1.00) ALDH1A1TSHRASAH1NPSR1SAE1
SCHEMBL4664446 0.83 TSHR (0.54) ALDH1A1TSHRASAH1NPSR1HIF1A
SCHEMBL205803 0.82 TSHR (0.87) ALDH1A1TSHRASAH1NPSR1SAE1
Benomyl SCHEMBL27841656 0.82 TSHR (0.94) ALDH1A1TSHRASAH1NPSR1SAE1

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 3393 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
EP-3578543-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-08-20 EP claimed
US-20250212881-A1 AN AGROCHEMICAL COMPOSITION UPL LTD (IN) 2025-07-03 US claimed
EP-3578541-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-05-28 EP claimed
US-20240188569-A1 NEW YEAST STRAIN AND ITS USES FOR THE CONTROL OF PHYTOPATHOGENS AGROVENTURES LLC (US) 2024-06-13 US claimed
US-20240138408-A1 COMPOSITION COMPRISING BENZYLAMINE ACARICIDE AND USE THEREOF SHANGDONG KANGIAO BIO-TECHNOLOGY CO., LTD (CN) 2024-05-02 US claimed
EP-4331364-A2 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2024-03-06 EP claimed
EP-4323496-A1 NEW YEAST STRAIN AND ITS USES FOR THE CONTROL OF PHYTOPATHOGENS AGROVENTURES S.R.L. (IT) 2024-02-21 EP claimed
WO-2023212494-A2 PREDICTIVE PESTICIDE RESISTANCE INFORMATION GENERATION AND USE PIONEER HI-BRED INTERNATIONAL, INC. (US) 2023-11-02 WO claimed
WO-2009004279-A2 HARD SURFACE TREATMENT COMPOSITIONS WITH IMPROVED MOLD OR FUNGI REMEDIATION PROPERTIES RECKITT BENCKISER (UK) LIMITED (GB) 2009-01-08 WO claimed
US-20070155706-A1 Active substance combinations that have nemticidal, insecticidal, and fungicidal properties and are based on trifluorobutenyl compounds ADAMA MAKHTESHIM LTD. (IL) 2007-07-05 US claimed
JP-2006525250-A 2006-11-09 JP claimed
CN-1812715-A Active substance combinations with nematicidal, insecticidal and fungicidal properties based on trifluorobutenyl compounds BAYER CROPSCIENCE AG (DE) 2006-08-02 CN claimed
EP-1622453-A1 ACTIVE SUBSTANCE COMBINATIONS THAT HAVE NEMATICIDAL, INSECTICIDAL, AND FUNGICIDAL PROPERTIES AND ARE BASED ON TRIFLUOROBUTENYL COMPOUNDS Bayer CropScience AG (DE) 2006-02-08 EP claimed
WO-2004095929-A1 ACTIVE SUBSTANCE COMBINATIONS THAT HAVE NEMATICIDAL, INSECTICIDAL, AND FUNGICIDAL PROPERTIES AND ARE BASED ON TRIFLUOROBUTENYL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-11-11 WO claimed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO claimed
EP-0603845-B1 Fungicide composition for agriculture and horticulture KUREHA CHEMICAL IND CO LTD (JP) 1995-11-02 EP claimed
EP-0677246-A1 Fungicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-10-18 EP claimed
EP-0603845-A1 Fungicide composition for agriculture and horticulture KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-29 EP claimed