SCHEMBL11067296

SCHEMBL11067296

N#CCCc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.40
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.34
RAD51 Q06609 1/20 0.33
BCL2A1 Q16548 2/20 0.32
KMT2A Q03164 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
SCHEMBL9737192 0.80 PPOX (0.44) PPOXBCL2A1
SCHEMBL27574070 0.80 PPARD (0.42) PPOXMAPTALDH1A1
SCHEMBL11013103 0.79 PPOX (0.38) PPOX
SCHEMBL11067932 0.77 HSD11B1 (0.33) ALDH1A1
SCHEMBL10414983 0.76 PPOX (0.41) PPOXALDH1A1
SCHEMBL9767878 0.76 PPOX (0.34) PPOXMAPTALDH1A1
SCHEMBL11013820 0.76 PPOX (0.39) PPOXMAPTALDH1A1
SCHEMBL10713366 0.73 PPOX (0.39) PPOXMAPTBCL2A1KMT2A
SCHEMBL27519951 0.72 PPOX (0.38) PPOXALDH1A1
SCHEMBL10414986 0.72 RAB9A (0.39) PPOXMAPTALDH1A1KMT2A

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
US-4439229-A Substituted phthalimides herbicides ROHM AND HAAS COMPANY (US) 1984-03-27 US disclosed
EP-0068822-A2 Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1983-01-05 EP disclosed