SCHEMBL28487211

SCHEMBL28487211

O=[N+]([O-])c1cc(Cl)cc(N=Nc2ccc3c(S(=O)(=O)O)ccc(Nc4ccccc4)c3c2O)c1O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ THRB P10828 2/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ WNK1 Q9H4A3 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ CHAT P28329 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ TNNI3 P19429 1/20 0.38
▸ TNNT2 P45379 1/20 0.38
▸ TNNC1 P63316 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ FABP4 P15090 1/20 0.38

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
SCHEMBL28494255 0.92 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ATHRBCYP1A2
SCHEMBL11758172 0.76 THRB (0.47) MEN1KMT2ATHRBCYP1A2MAPT
SCHEMBL11758158 0.68 THRB (0.62) MEN1KMT2ATHRBMAPTPOLB
SCHEMBL11758165 0.68 THRB (0.62) MEN1KMT2ATHRBMAPTPOLB
SCHEMBL24026836 0.67 ENPP2 (0.51) MEN1KMT2ATHRBCYP1A2TDP1
SCHEMBL10895528 0.67 CYP1A2 (0.59) MEN1KMT2ATHRBCYP1A2MAPT
SCHEMBL9817053 0.66 MAPT (0.74) L3MBTL1MEN1KMT2AWNK1MAPT
SCHEMBL11737405 0.66 CYP1A2 (0.45) MEN1KMT2ATHRBCYP1A2MAPT
SCHEMBL11652581 0.65 SNCA (0.64) L3MBTL1MEN1KMT2ATHRBCYP1A2
SCHEMBL12177969 0.64 MEN1 (0.69) L3MBTL1MEN1KMT2ATHRBCYP1A2

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
CN-106904710-B Application device of flocculating agent spiral pipeline 徐州工程学院 2020-12-18 — — CN disclosed
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