SCHEMBL4236148

SCHEMBL4236148

O=C(O)CC(c1ccccc1)S(=O)(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccccn3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
DNMT1 P26358 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
HPGD P15428 1/20 0.42
AURKA O14965 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL2841275 0.89 ALDH1A1 (0.53) ALDH1A1LMNAITGB3ITGAVPOLB
SCHEMBL4235103 0.89 ALDH1A1 (0.46) ALDH1A1LMNAITGB3ITGAVPOLB
SCHEMBL2838961 0.85 ALDH1A1 (0.53) ALDH1A1LMNAITGB3ITGAVPOLB
SCHEMBL2837257 0.83 ITGB3 (0.51) ALDH1A1LMNAITGB3ITGAVPOLB
SCHEMBL2838894 0.83 ALDH1A1 (0.48) ALDH1A1LMNAITGB3ITGAVPOLB
SCHEMBL2841463 0.81 ITGB3 (0.56) ALDH1A1LMNAITGB3ITGAV
SCHEMBL2837716 0.80 ITGB3 (0.53) ALDH1A1LMNAITGB3ITGAVPOLB
SCHEMBL2839386 0.80 ITGB3 (0.52) ALDH1A1LMNAITGB3ITGAVPOLB
SCHEMBL2835176 0.80 ALDH1A1 (0.48) ALDH1A1LMNAITGB3ITGAVPOLB
SCHEMBL2833027 0.79 ALDH1A1 (0.48) ALDH1A1LMNAITGB3ITGAVMEN1

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