SCHEMBL22972977

SCHEMBL22972977

[2H]C([2H])([2H])NC(=O)Oc1nc(-c2cc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cn2)cs1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 4/20 0.72
LSS P48449 2/20 0.38
CHRNA7 P36544 1/20 0.38
STAT3 P40763 3/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
GPR183 P32249 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
BCHE P06276 1/20 0.36

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
SCHEMBL29719211 0.84 WNK1 (1.00) WNK1LSSCHRNA7STAT3MAPT
SCHEMBL22972979 0.84 WNK1 (1.00) WNK1LSSCHRNA7STAT3MAPT
Hydrochloric Acid SCHEMBL29719312 0.83 WNK1 (0.98) WNK1LSSCHRNA7STAT3MAPT
Hydrochloric Acid SCHEMBL22972975 0.83 WNK1 (0.98) WNK1LSSCHRNA7STAT3MAPT
SCHEMBL22972978 0.81 WNK1 (1.00) WNK1LSSCHRNA7STAT3PTGS2
SCHEMBL30423029 0.81 WNK1 (1.00) WNK1LSSCHRNA7STAT3PTGS2
SCHEMBL29719250 0.77 WNK1 (0.64) WNK1LSSSTAT3MAPTPTGS2
SCHEMBL22972976 0.74 WNK1 (0.62) WNK1LSSPTGS2POLBGPR183
SCHEMBL29719297 0.74 WNK1 (0.62) WNK1LSSPTGS2POLBGPR183
SCHEMBL29719242 0.64 WNK1 (0.54) WNK1LSSSTAT3MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013413-A1 TARGETING WNK1 IN BLOOD CANCERS Københavns Universitet (DK) 2022-06-22 EP disclosed
WO-2021028438-A1 TARGETING WNK1 IN BLOOD CANCERS Københavns Universitet (DK) 2021-02-18 WO disclosed
EP-3777857-A1 TARGETING WNK1 IN BLOOD CANCERS Københavns Universitet (DK) 2021-02-17 EP disclosed