SCHEMBL11540966

SCHEMBL11540966

O=C1C2CCCCC2C(=O)N1c1cc(Cl)c(Cl)cc1F

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.72
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT3 P40763 1/20 0.37
MAPK1 P28482 1/20 0.35

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
SCHEMBL11543524 0.92 PPOX (0.70) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL7816420 0.88 PPOX (0.65) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL7686170 0.88 PPOX (0.65) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL7895812 0.85 PPOX (0.62) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL3187971 0.84 PPOX (0.52) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL3191989 0.84 PPOX (0.60) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL9596712 0.84 PPOX (0.61) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL31448352 0.84 PPOX (0.61) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL9562879 0.84 PPOX (0.61) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL7690639 0.83 PPOX (0.60) PPOXKMT2ALMNAPARP1ALDH1A1

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-4175948-A HERBICIDES, POSTMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-11-27 US disclosed
US-4120693-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-10-17 US disclosed