SCHEMBL4374052

SCHEMBL4374052

N=C(NCc1ccccc1)Nc1cccc(C(=O)Nc2ccc(C(c3ccccc3)[C@H](S)C(=O)O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 5/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
SENP1 Q9P0U3 1/20 0.42
PPARG P37231 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 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
SCHEMBL4373096 0.86 NAMPT (0.48) LMNAMAPK1KMT2AALDH1A1HTT
SCHEMBL15673962 0.80 HDAC1 (0.46) KMT2AMEN1
SCHEMBL2841862 0.78 ITGB3 (0.50) LMNAMAPK1KMT2ARAB9ANPC1
SCHEMBL2837180 0.78 NPC1 (0.47) LMNAMAPK1KMT2ARAB9ANPC1
SCHEMBL2836439 0.77 ITGB3 (0.45) LMNAMAPK1KMT2ARAB9ANPC1
SCHEMBL4059253 0.77 NAMPT (0.61) KMT2ARAB9ANPC1HTTPOLB
SCHEMBL2838511 0.77 ITGB3 (0.43) LMNAMAPK1KMT2ARAB9ANPC1
SCHEMBL2842651 0.76 MAPK1 (0.48) LMNAMAPK1KMT2ARAB9ANPC1
SCHEMBL2833692 0.75 ITGB3 (0.52) LMNAMAPK1KMT2ARAB9ANPC1
SCHEMBL2833089 0.74 ITGB3 (0.48) LMNAMAPK1KMT2ARAB9ANPC1

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