SCHEMBL28524142

SCHEMBL28524142

Nc1nc(NOS(=O)(=O)c2ccccc2C=Cc2ccccc2S(=O)(=O)ONc2nc(N)nc(Nc3ccccc3)n2)nc(Nc2ccccc2)n1.[NaH].[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
KCNH3 Q9ULD8 1/20 0.39
BCL6 P41182 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL28525192 0.99 MAPT (0.45) MAPTBLMKMT2AGAAKDM4E
SCHEMBL28525196 0.93 MAPT (0.41) MAPTBLMKMT2AGAAKDM4E
SCHEMBL9062886 0.93 MAPT (0.44) MAPTBLMKMT2AGAAKDM4E
SCHEMBL16269714 0.93 MAPT (0.44) MAPTBLMKMT2AGAAKDM4E
SCHEMBL28965738 0.88 TTR (0.40) MAPTKMT2AGAAKDM4EMEN1
SCHEMBL16269716 0.87 TTR (0.40) MAPTKMT2AGAAKDM4EMEN1
SCHEMBL28338162 0.84 CA1 (0.41) MAPTKMT2AGAAKDM4EMEN1
SCHEMBL8942626 0.83 ALDH1A1 (0.45) MAPTKMT2AGAAKDM4EMEN1
SCHEMBL28407614 0.82 CA12 (0.57) MAPTKMT2AGAAMEN1HTT
SCHEMBL28508304 0.81 KCNH3 (0.47) MAPTBLMKMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112449651-B Treatment compositions comprising low levels of oligoamines 宝洁公司 2022-06-07 CN disclosed
CN-114302946-A Fabric care compositions comprising copolymers and related methods 宝洁公司 2022-04-08 CN disclosed
CN-112449651-A Treatment compositions comprising low levels of oligoamines 宝洁公司 2021-03-05 CN disclosed
CN-112437806-A Treatment compositions comprising a surfactant system and an oligoamine 宝洁公司 2021-03-02 CN disclosed