SCHEMBL4235103

SCHEMBL4235103

O=C(O)CC(c1ccccc1)S(=O)(=O)Nc1cccc(NC(=O)c2ccc(Nc3ccccn3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
POLB P06746 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
APEX1 P27695 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4236148 0.89 ALDH1A1 (0.53) ALDH1A1LMNAKCNK3KCNK9MEN1
SCHEMBL2835176 0.87 ALDH1A1 (0.48) ALDH1A1LMNAKCNK3KCNK9MEN1
SCHEMBL2837268 0.83 MEN1 (0.46) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL4384849 0.81 ITGB3 (0.47) KCNK3KCNK9MEN1KMT2AITGB3
SCHEMBL2839431 0.81 NAMPT (0.46) ALDH1A1LMNAKCNK3ITGB3ITGAV
SCHEMBL2841275 0.80 ALDH1A1 (0.53) ALDH1A1LMNAKCNK3KCNK9MEN1
SCHEMBL2838961 0.80 ALDH1A1 (0.53) ALDH1A1LMNAKCNK3KCNK9MEN1
SCHEMBL2838617 0.79 ITGB3 (0.58) KCNK3KCNK9ITGB3ITGAV
SCHEMBL2836433 0.79 MAPK1 (0.51) LMNAKCNK3KCNK9MEN1KMT2A
SCHEMBL2833513 0.79 NPC1 (0.43) ALDH1A1LMNAMEN1KMT2AITGB3

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
WO-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 WO disclosed