SCHEMBL4650796

SCHEMBL4650796

Fc1cccc2c1OCO2.OB(O)c1ccc2c(c1F)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.34
PKM P14618 2/20 0.34
AOC3 Q16853 1/20 0.34
PKLR P30613 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAOB P27338 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 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
SCHEMBL29950897 0.91 AOC3 (0.39) TP53ABCG2AOC3ALDH1A1NQO2
SCHEMBL1224244 0.91 AOC3 (0.39) TP53ABCG2AOC3ALDH1A1NQO2
SCHEMBL1224045 0.80 ABCG2 (0.52) NPC1RAB9ATP53SMN1; SMN2ABCG2
SCHEMBL30521296 0.80 ABCG2 (0.52) NPC1RAB9ATP53SMN1; SMN2ABCG2
SCHEMBL2032971 0.77 P4HB (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL962423 0.77 ABCG2 (0.44) ABCG2PKMALDH1A1MAOBMAPK1
SCHEMBL29670249 0.77 ABCG2 (0.44) ABCG2PKMALDH1A1MAOBMAPK1
SCHEMBL4650783 0.73
SCHEMBL19492639 0.71 NQO2 (0.47) NPC1RAB9ATP53ABCG2AOC3
SCHEMBL8798169 0.70 AOC3 (0.41) NPC1RAB9ATP53ABCG2AOC3

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
EP-1971579-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2008-09-24 EP disclosed
WO-2007082076-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 WO disclosed