SCHEMBL28016016

SCHEMBL28016016

O=C(O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.58
KMO O15229 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.45
RPA1 P27694 1/20 0.45
PTGS2 P35354 1/20 0.45
P4HTM Q9NXG6 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
DDT P30046 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CDH1 P12830 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL28015464 0.86 MAP4K4 (0.48) MAP4K4KMOEGLN1MAPT
SCHEMBL28241485 0.84 DDT (0.55) MAP4K4KMOP4HTMDDTL3MBTL1
SCHEMBL19835341 0.81 SLC6A3 (0.51) MAP4K4SMN1; SMN2L3MBTL1KDM4ENPC1
SCHEMBL411891 0.79 MAP4K4 (0.49) MAP4K4KMOSMN1; SMN2PTGS2EGLN1
SCHEMBL4725410 0.77 MAP4K4 (0.68) MAP4K4KMOSMN1; SMN2RPA1PTGS2
SCHEMBL440826 0.76 PTGDR2 (0.50) MAP4K4KMOL3MBTL1MAPT
SCHEMBL25201104 0.76 DDT (0.51) MAP4K4KMORPA1P4HTMDDT
SCHEMBL30680327 0.75 CNR2 (0.66) MAP4K4KMO
SCHEMBL411450 0.75 CNR2 (0.66) MAP4K4KMO
SCHEMBL25174367 0.75 KMO (0.72) MAP4K4KMOSMN1; SMN2RPA1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104640844-B The preparation method of 4-amino-5-fluorine-3-halo-6-(substituted) pyridine-2-formic acid esters 美国陶氏益农公司 2016-11-09 CN disclosed
CN-104640844-A Process for the preparation of 4-amino-5-fluoro-3-halo-6-(substituted)picolinates-2-formate DOW AGROSCIENCES LLC 2015-05-20 CN disclosed