SCHEMBL123933

SCHEMBL123933

N#CC(C(=O)O)=C(N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
XBP1 P17861 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 2/20 0.46
RECQL P46063 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
PARP1 P09874 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MCL1 Q07820 2/20 0.42
CES2 O00748 2/20 0.39

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
SCHEMBL123931 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1LMNAXBP1
SCHEMBL123932 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1LMNAXBP1
SCHEMBL25373752 0.83 POLB (0.63) ALDH1A1MAPTLMNAPOLBTDP1
SCHEMBL6205633 0.81 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1LMNAXBP1
SCHEMBL6205637 0.81 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1LMNAXBP1
SCHEMBL30149162 0.80 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1LMNAXBP1
SCHEMBL28397590 0.80 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1LMNAXBP1
SCHEMBL9657793 0.80 POLB (0.42) ALDH1A1MAPTMAPK1LMNAXBP1
SCHEMBL5671121 0.79 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1LMNAXBP1
Water SCHEMBL11778081 0.79 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1LMNAXBP1

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 2655 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240225002-A1 FUNGICIDAL COMPOSITION CONTAINING OXADIAZOLE COMPOUNDS PI INDUSTRIES LTD. (IN) 2024-07-11 US claimed
EP-4384016-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2024-06-19 EP claimed
WO-2024104814-A1 FUNGICIDAL MIXTURE COMPRISING SUBSTITUTED PYRIDINES BASF SE (DE) 2024-05-23 WO claimed
WO-2024104813-A1 FUNGICIDAL MIXTURE COMPRISING SUBSTITUTED PYRIDINES BASF SE (DE) 2024-05-23 WO claimed
EP-4346412-A1 FUNGICIDAL COMPOSITION CONTAINING OXADIAZOLE COMPOUNDS PI Industries Ltd. (IN) 2024-04-10 EP claimed
US-20240016152-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2024-01-18 US claimed
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2023-12-28 US claimed
US-20230397607-A1 COMPOSITIONS COMPRISING MEFENTRIFLUCONAZOLE BASF Agro B.V. (NL) 2023-12-14 US claimed
US-11839214-B2 Fungicidal mixture comprising substituted pyridines BASF SE (DE) 2023-12-12 US claimed
EP-4250926-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI Industries Ltd. (IN) 2023-10-04 EP claimed
EP-2445348-A1 COMBINATIONS OF FUNGICIDALLY ACTIVE YEAST AND FUNGICIDES Bayer Cropscience AG (DE) 2012-05-02 EP claimed
EP-2398326-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2011-12-28 EP claimed
WO-2011051243-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-05 WO claimed
WO-2011029551-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2011-03-17 WO claimed
WO-2010149369-A1 COMBINATIONS OF FUNGICIDALLY ACTIVE YEAST AND FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO claimed
EP-2234489-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2010-10-06 EP claimed
WO-2010094728-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2010-08-26 WO claimed
WO-2010060982-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2010-06-03 WO claimed
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
WO-2009090181-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2009-07-23 WO claimed