SCHEMBL28061249

SCHEMBL28061249

FC(F)Oc1cnc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTR1E P28566 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GRIN1 Q05586 12/20 0.33
▸ GRIN2B Q13224 12/20 0.33
▸ RXRA P19793 10/20 0.33

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
SCHEMBL31575969 0.81 L3MBTL1 (0.33) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL28061248 0.81 TDP1 (0.32) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL20642463 0.81 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1LRRK2
SCHEMBL29291060 0.81 MAPT (0.37) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL17979413 0.81 GAA (0.32) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL29695090 0.81 GAA (0.32) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL29739284 0.78 GRIN2B (0.38) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL16783059 0.77 RXRA (0.34) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL26598715 0.77 GAA (0.32) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL25214242 0.77 KCNQ3 (0.36) MAPTNPC1NFKB1RAB9ANFKB2

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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