SCHEMBL11780992

SCHEMBL11780992

Nc1ccc(Nc2c(NCc3ccccc3)cc(C(=O)O)cc2S(=O)(=O)Nc2ccccc2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ NCOR2 Q9Y618 2/20 0.40
▸ CISD1 Q9NZ45 1/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ ACLY P53396 2/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ APP P05067 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL11784962 0.92 L3MBTL1 (0.46) L3MBTL1CISD1JAK3IRAK4HPGD
SCHEMBL11781725 0.87 GAA (0.43) L3MBTL1CISD1HPGDHSD17B10KDM4E
SCHEMBL11777320 0.86 CISD1 (0.49) L3MBTL1CISD1JAK3IRAK4HPGD
SCHEMBL11841803 0.85 L3MBTL1 (0.50) L3MBTL1HDAC1CISD1JAK3IRAK4
SCHEMBL11780536 0.82 BDKRB1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL11781708 0.80 MEN1 (0.48) L3MBTL1KDM4EMAPTALDH1A1POLB
SCHEMBL11841241 0.79 CISD1 (0.53) L3MBTL1CISD1JAK3IRAK4HPGD
SCHEMBL11843466 0.78 ALDH1A1 (0.52) L3MBTL1HDAC1HDAC2HDAC3NCOR2
SCHEMBL11777521 0.78 ALDH1A1 (0.45) CISD1HPGDHSD17B10KDM4EAPP
SCHEMBL11846910 0.77 CISD1 (0.48) L3MBTL1HDAC1CISD1JAK3IRAK4

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-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 — — US disclosed
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