SCHEMBL7816420

SCHEMBL7816420

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.65
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
STAT3 P40763 1/20 0.36
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 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
SCHEMBL11540966 0.88 PPOX (0.72) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL11543524 0.86 PPOX (0.70) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL29077233 0.85 PPOX (0.48) PPOXKMT2ALMNAALDH1A1CYP2C19
SCHEMBL7686170 0.82 PPOX (0.65) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL9562879 0.82 PPOX (0.61) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL31448352 0.82 PPOX (0.61) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL9596712 0.82 PPOX (0.61) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL5382585 0.80 PPOX (0.44) PPOXKMT2ALMNAALDH1A1MAPK1
SCHEMBL7895812 0.80 PPOX (0.62) PPOXKMT2ALMNAPARP1ALDH1A1
SCHEMBL3191989 0.79 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796845-B1 Arylheterocycles with herbicidal activity ISAGRO RICERCA SRL (IT) 2001-06-13 EP disclosed
US-5958838-A CONTROLLING WEEDS IN CROPS. ISAGRO RICERCA S.R.L. (IT) 1999-09-28 US disclosed
US-5916847-A DISPLAYS LOW PHYTOTOXICITY; PLANT GROWTH REGULATOR ISAGRO RICERCA S.R.L. (IT) 1999-06-29 US disclosed
EP-0796845-A1 Arylheterocycles with herbicidal activity ISAGRO RICERCA S.r.l. (IT) 1997-09-24 EP disclosed