SCHEMBL6937343

SCHEMBL6937343

Cn1c(Br)c(-c2cc(C(=O)O)c(Cl)cc2F)c(Br)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
NOTUM Q6P988 2/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
PLAU P00749 1/20 0.31
ELANE P08246 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C1 Q04828 1/20 0.31
ACLY P53396 2/20 0.30

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
SCHEMBL6938081 0.87 ALDH1A1 (0.39) POLBAPEX1ALDH1A1HPGD
SCHEMBL6937354 0.87 GAA (0.38) POLBAPEX1HPGDNOTUM
SCHEMBL6940104 0.85 LMNA (0.33) POLBALDH1A1HPGD
SCHEMBL6939220 0.85 HPGD (0.51) POLBALDH1A1HPGDTP53
SCHEMBL6939212 0.85 BAZ2B (0.40) POLBALDH1A1HPGD
SCHEMBL6935078 0.83 HSD11B1 (0.31)
SCHEMBL6940513 0.80 CYP2C19 (0.38) ALDH1A1HPGDHSD17B10
SCHEMBL3689455 0.78 RORC (0.36) PLAUELANE
SCHEMBL6939582 0.77 PTGDR2 (0.35) POLBAKR1C3AKR1C2
SCHEMBL6219513 0.77 GRIK1 (0.33) POLBAPEX1ALDH1A1TP53NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061072-B1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2003-05-14 EP disclosed
US-6391827-B1 CONTROLLING WEEDS ISAGRO RICERCA S.R.L. (IT) 2002-05-21 US disclosed
EP-1061072-A1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA S.r.l. (IT) 2000-12-20 EP disclosed