SCHEMBL30151412

SCHEMBL30151412

COc1c(N)nc(Cl)nc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KMO O15229 1/20 0.35
TPMT P51580 1/20 0.34
DHPS P49366 2/20 0.33
NEK2 P51955 2/20 0.32
GAA P10253 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 1/20 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
SCHEMBL27785159 1.00 TDP1 (0.38) TDP1ALDH1A1HSD17B10KDM4EKMO
SCHEMBL1397019 0.84 NPSR1 (0.45) ALDH1A1HSD17B10KDM4EGAASMN1; SMN2
SCHEMBL27276898 0.84 TPMT (0.39) TDP1ALDH1A1HSD17B10KDM4EKMO
SCHEMBL30710266 0.84 TPMT (0.39) TDP1ALDH1A1HSD17B10KDM4EKMO
SCHEMBL28088536 0.81 ALDH1A1 (0.39) TDP1ALDH1A1HSD17B10KDM4EKMO
SCHEMBL30710300 0.80 KMO (0.39) TDP1ALDH1A1HSD17B10KDM4EKMO
SCHEMBL31295775 0.80 ALDH1A1 (0.38) TDP1ALDH1A1HSD17B10KDM4EKMO
SCHEMBL1397016 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EGAASMN1; SMN2
SCHEMBL1397030 0.76 DHPS (0.54) ALDH1A1HSD17B10KDM4EKMODHPS
SCHEMBL30151422 0.75 TDP1 (0.53) TDP1ALDH1A1HSD17B10KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970185-B1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2023-07-12 EP disclosed