SCHEMBL8539713

SCHEMBL8539713

O=C1c2ccccc2C(=O)N1n1cccc1C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CES1 P23141 2/20 0.38
KMT2A Q03164 2/20 0.37
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CASP3 P42574 1/20 0.33
SCN2A Q99250 2/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL8305666 0.79 POLB (0.48) POLBCES1KMT2ACA12CA9
SCHEMBL8545658 0.79 POLB (0.44) POLBCES1KMT2ACA12CA9
SCHEMBL8446968 0.76 ALDH1A1 (0.47) POLBKMT2ACA12CA9MEN1
SCHEMBL1966590 0.75 POLB (0.45) POLBKMT2ASCN2AHTT
SCHEMBL8543267 0.75 CES1 (0.42) POLBCES1KMT2ACA12CA9
SCHEMBL8303714 0.75 LMNA (0.43) POLBKMT2ACASP3HTT
SCHEMBL8540702 0.75 KEAP1 (0.42) POLBCES1KMT2ACA12CA9
SCHEMBL10365415 0.75 POLB (0.42) POLBCES1KMT2AMEN1
SCHEMBL8545476 0.74 SLC18A3 (0.40) POLBCES1KMT2ACASP3
SCHEMBL10365839 0.73 CNR2 (0.44) POLBCES1KMT2AMEN1HTT

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