SCHEMBL7786950

SCHEMBL7786950

O=C(NC(CO)Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.57
PKLR P30613 8/20 0.56
GAA P10253 1/20 0.54
ROCK2 O75116 1/20 0.52
RPS6KA5 O75582 1/20 0.52
RPS6KA4 O75676 1/20 0.52
PRKACA P17612 1/20 0.52
MAPK1 P28482 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
IRAK1 P51617 1/20 0.52
PRKX P51817 1/20 0.52
ROCK1 Q13464 1/20 0.52
PRKG1 Q13976 1/20 0.52
PKN2 Q16513 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
SGK2 Q9HBY8 1/20 0.52
FABP1 P07148 1/20 0.51

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
SCHEMBL7786947 1.00 MEN1 (0.58) MEN1KMT2AALDH1A1PKLRGAA
SCHEMBL7786993 0.91 FABP1 (0.50) MEN1KMT2AALDH1A1PKLRGAA
SCHEMBL7786996 0.91 FABP1 (0.50) MEN1KMT2AALDH1A1PKLRGAA
SCHEMBL7782132 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1PKLRGAA
SCHEMBL7782131 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1PKLRGAA
SCHEMBL7782130 0.79 MAPK1 (0.58) MEN1KMT2AALDH1A1ROCK2RPS6KA5
SCHEMBL7380786 0.79 MAPK1 (0.58) MEN1KMT2AALDH1A1ROCK2RPS6KA5
SCHEMBL15480551 0.78 MEN1 (0.73) MEN1KMT2AALDH1A1PKLRGAA
SCHEMBL2702246 0.78 ALDH1A1 (0.76) MEN1KMT2AALDH1A1PKLRGAA
SCHEMBL30708093 0.78 ALDH1A1 (0.76) MEN1KMT2AALDH1A1PKLRGAA

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-6251917-B1 Benzamidoaldehydes and their use as cysteine protease inhibitors BASF AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed