SCHEMBL8540804

SCHEMBL8540804

Nn1cccc1C(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.42
HTT P42858 1/20 0.34
ACHE P22303 2/20 0.33
IDO1 P14902 1/20 0.33
MLYCD O95822 1/20 0.33
PLA2G2D Q9UNK4 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.32
DRD3 P35462 2/20 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
SCHEMBL8888411 0.76 RAB9A (0.51) CES1HTTRAB9A
SCHEMBL1269750 0.74
SCHEMBL782203 0.74
SCHEMBL3827167 0.72
Hydrochloric Acid SCHEMBL28339228 0.72 LMNA (0.43) RAB9A
SCHEMBL2534099 0.72 CES1 (0.38) CES1HTTACHEMLYCDPLA2G2D
Hydrochloric Acid SCHEMBL3821986 0.71 BAZ2B (0.35) HDAC6RAB9A
SCHEMBL8308338 0.69 MAOB (0.40)
SCHEMBL6140412 0.68 CES1 (0.35) CES1ACHEMLYCDHDAC6DRD3
SCHEMBL8540939 0.68 ALDH1A1 (0.38) HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648764-B1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA CHEMICAL IND CO LTD (JP) 1998-12-16 EP disclosed
US-5612287-A N-(substituted amino) pyrrole derivatives preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-03-18 US disclosed
US-5604178-A N-(substituted amino)pyrrole derivatives, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-02-18 US disclosed
EP-0648764-A1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-04-19 EP disclosed