SCHEMBL29329085

SCHEMBL29329085

CC(=O)Cc1ncc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 2/20 0.53
ADORA2A P29274 1/20 0.36
SSTR4 P31391 1/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
NTRK1 P04629 1/20 0.33
MAOB P27338 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
HTR2A P28223 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4530478 0.83 AGBL2 (0.69) AGBL2ADORA2ACYP3A4CYP1A2CYP2D6
SCHEMBL29781576 0.83 AGBL2 (0.69) AGBL2ADORA2ACYP3A4CYP1A2CYP2D6
SCHEMBL6408064 0.81 AGBL2 (0.49) AGBL2ADORA2ASSTR4MAPK1CYP3A4
SCHEMBL21801325 0.81 AGBL2 (0.49) AGBL2ADORA2ASSTR4MAPK1KLKB1
SCHEMBL10132043 0.78 AGBL2 (0.50) AGBL2MAOBKDM4E
Acetic Acid SCHEMBL28002626 0.77 AGBL2 (0.49) AGBL2ADORA2ASSTR4MAPK1CYP3A4
SCHEMBL4806476 0.75 AGBL2 (0.43) AGBL2KDM4E
SCHEMBL134813 0.74 AGBL2 (0.43) AGBL2ADORA2AMAPK1
SCHEMBL29941432 0.74 AGBL2 (0.43) AGBL2ADORA2AMAPK1
SCHEMBL10160279 0.74 AGBL2 (0.42) AGBL2ADORA2ASSTR4HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4649076-A1 HERBICIDAL PYRAZOLE COMPOUNDS Syngenta Crop Protection AG (CH) 2025-11-19 EP disclosed
WO-2024149676-A1 HERBICIDAL PYRAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-07-18 WO disclosed
WO-2024149676-A1 HERBICIDAL PYRAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-07-18 WO disclosed