SCHEMBL28312269

SCHEMBL28312269

C=CS(=O)(=O)Nc1cccc(N2C(=O)c3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(c34)C2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 2/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PSMD14 O00487 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PLEC Q15149 1/20 0.35
▸ BTK Q06187 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR7 P34969 1/20 0.34

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
SCHEMBL28312087 0.86 KMT2A (0.34) MEN1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL28313061 0.75 KMT2A (0.60) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5527165 0.72 ALDH1A1 (0.46) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5533044 0.72 MAPK1 (0.52) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL28451650 0.69 KMT2A (0.37) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL28869011 0.68 CA12 (0.50) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL28898006 0.68 KMT2A (0.36) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL13870630 0.68 KMT2A (0.39) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL14502330 0.67 NPC1 (0.61) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5158084 0.67 MEN1 (0.66) MEN1KMT2APOLBCASP6L3MBTL1

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-110028253-A A kind of high-performance cement and preparation method thereof 梁剑 2019-07-19 — — CN disclosed
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