SCHEMBL28061248

SCHEMBL28061248

Nc1cc(Cl)ncc1OC(F)F

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.32
▸ AAK1 Q2M2I8 2/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ MAP3K12 Q12852 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ ENPP1 P22413 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
SCHEMBL28061249 0.81 MAPT (0.38) TDP1PDE4DNPC1MAPTNFKB1
SCHEMBL17979413 0.78 GAA (0.32) PDE4DNPC1MAPTNFKB1RAB9A
SCHEMBL20642463 0.78 ALDH1A1 (0.36) PDE4DMAPTKCNH2DHFRLRRK2
SCHEMBL31575969 0.78 L3MBTL1 (0.33) PDE4DNPC1MAPTNFKB1RAB9A
SCHEMBL29695090 0.78 GAA (0.32) PDE4DNPC1MAPTNFKB1RAB9A
SCHEMBL29739284 0.76 GRIN2B (0.38) AAK1PDE4DNPC1MAPTNFKB1
SCHEMBL16641778 0.75 GAA (0.50) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL31493106 0.74 KDM4E (0.36) TDP1MAPTDHFRENPP1
SCHEMBL16783059 0.74 RXRA (0.34) PDE4DNPC1MAPTNFKB1RAB9A
SCHEMBL26598715 0.74 GAA (0.32) PDE4DNPC1MAPTNFKB1RAB9A

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
CN-103763923-B 3-alkoxy-4-amino-6- (substituted) picolinates, 3-thioalkyl-4-amino-6- (substituted) picolinates, and 3-amino-4-amino-6- (substituted) picolinates and their use as herbicides 陶氏益农公司 2016-08-17 — — CN disclosed
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