SCHEMBL11205867

SCHEMBL11205867

Cc1c(F)c(F)c(Oc2ccc([N+](=O)[O-])c(OCP(C)(=O)O)c2)c(Cl)c1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 5/20 0.34
▸ PKM P14618 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ TTR P02766 2/20 0.32
▸ PPOX P50336 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ ALB P02768 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11204589 0.88 MAPT (0.35) ALDH1A1MAPTPKMTDP1NPC1
SCHEMBL11411623 0.84 MEN1 (0.38) ALDH1A1MAPTTDP1SMN1; SMN2HTT
SCHEMBL11199866 0.81 MAPT (0.33) ALDH1A1MAPTPKMTDP1NPC1
SCHEMBL11288556 0.80 MAPT (0.34) ALDH1A1MAPTTDP1NPC1SMN1; SMN2
SCHEMBL11287905 0.80 ALDH1A1 (0.46) ALDH1A1MAPTTDP1SMN1; SMN2HTT
SCHEMBL11295140 0.79 ALDH1A1 (0.33) ALDH1A1MAPTTDP1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL10854582 0.79 MAPT (0.33) ALDH1A1MAPTTDP1NPC1SMN1; SMN2
SCHEMBL10947425 0.79 GPR35 (0.39) ALDH1A1MAPTTDP1SMN1; SMN2HTT
SCHEMBL11202097 0.79 MAPT (0.34) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL10766268 0.79 TDP1 (0.42) ALDH1A1MAPTTDP1SMN1; SMN2HTT

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-0078536-A2 Phosphinates and phosphonates and their use in the control of weeds SANDOZ AG (CH) 1983-05-11 — — EP disclosed
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