SCHEMBL10896265

SCHEMBL10896265

CCC(C)Nc1ccc(N)cc1S(=O)(=O)NCCCN(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ GAA P10253 3/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ SFRP1 Q8N474 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ METAP2 P50579 2/20 0.35
▸ CA12 O43570 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL10895262 0.76 L3MBTL3 (0.50) L3MBTL3GAAPDK1PDK2PDK3
SCHEMBL10894158 0.75 GAA (0.50) L3MBTL3GAAPDK1PDK2PDK3
SCHEMBL10891189 0.74 GAA (0.52) L3MBTL3GAAPDK1PDK2PDK3
SCHEMBL10894742 0.74 GAA (0.52) L3MBTL3GAAPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL10894674 0.74 GAA (0.49) L3MBTL3GAAPDK1PDK2PDK3
SCHEMBL10890812 0.74 GAA (0.49) L3MBTL3GAAPDK1PDK2PDK3
SCHEMBL10893396 0.73 L3MBTL3 (0.46) L3MBTL3PDK1PDK2PDK3PDK4
SCHEMBL10891903 0.72 RECQL (0.41) GAAPDK1PDK2PDK3PDK4
SCHEMBL10893133 0.72 SIGMAR1 (0.48) L3MBTL3ALDH1A1KMT2ASIGMAR1
SCHEMBL10890531 0.71 CA12 (0.40) GAAMAPTCA12CA2CA9

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
US-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 — — US disclosed
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