SCHEMBL6262185

SCHEMBL6262185

CCN(CCOc1cc(=O)[nH]nc1Cc1ccccc1)C(=O)O.O=CN1CCCSC1=C[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.33

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
Thiacloprid SCHEMBL6056083 0.86 CHRNA7 (0.41)
SCHEMBL1567545 0.80 PARP1 (0.42) PARP1
SCHEMBL6575798 0.79 MCHR1 (0.35)
Thiacloprid SCHEMBL6618093 0.69 CHRNA7 (0.43)
SCHEMBL6598680 0.69 PARP1 (0.34) PARP1
SCHEMBL396950 0.62 ALDH1A1 (0.36)
SCHEMBL2761720 0.62 PARP1 (0.41) PARP1
SCHEMBL9167908 0.58 LTA4H (0.51)
SCHEMBL10876242 0.58 LTA4H (0.67)
SCHEMBL10807618 0.58 MAPT (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587808-A1 3-PHENYL SUBSTITUTED 3-SUBSTITUTED-4-KETOLACTAMS AND KETOLACTONES Bayer CropScience Aktiengesellschaft (DE) 2005-10-26 EP disclosed
WO-2004069841-A1 3-PHENYL SUBSTITUTED 3-SUBSTITUTED-4-KETOLACTAMS AND KETOLACTONES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-19 WO disclosed