SCHEMBL20727094

SCHEMBL20727094

Nc1nc(-c2ccc(Br)c(F)c2)nc(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.41
▸ CYP1A2 P05177 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ VRK2 Q86Y07 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK2A3 Q8NEV1 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ EPRS1 P07814 2/20 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
SCHEMBL20727092 0.84 KMO (0.46) KDM4ELMNAHSD17B10ERN1AKR1C2
SCHEMBL29556640 0.83 NEK2 (0.40) KIF11CYP1A2HSD17B10
SCHEMBL16036648 0.83 NEK2 (0.40) KIF11CYP1A2HSD17B10
SCHEMBL20727056 0.75 CYP1A1 (0.49) CYP1A2KDM4EHSD17B10CYP1A1CYP1B1
SCHEMBL29556105 0.74 KIF11 (0.40) KIF11CYP1A2KDM4EHSD17B10
SCHEMBL16036360 0.74 KIF11 (0.40) KIF11CYP1A2KDM4EHSD17B10
SCHEMBL16036088 0.70 KIF11 (0.40) KIF11ESR1ESR2EPRS1
SCHEMBL29556686 0.70 KIF11 (0.40) KIF11ESR1ESR2EPRS1
SCHEMBL16036615 0.70 TDP1 (0.44) KIF11
SCHEMBL29556604 0.70 TDP1 (0.44) KIF11

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-3440938-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2019-02-13 — — EP disclosed
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