SCHEMBL6196253

SCHEMBL6196253

Cn1ccc(=O)c(OCc2ccccc2)c1C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM1 P11229 1/20 0.38
SLC1A2 P43004 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6193627 0.89 HTT (0.49) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL6198669 0.87 SMN1; SMN2 (0.42) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL6193308 0.85 HTT (0.39) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL6196408 0.81 ALDH1A1 (0.44) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL30669323 0.77 MEN1 (0.57) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL30669400 0.77 MEN1 (0.57) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL6200128 0.77 LMNA (0.50) SMN1; SMN2HTTKMT2AMEN1HPGD
SCHEMBL6200148 0.77 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL6197503 0.77 ALDH1A1 (0.34) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL6193376 0.76 MAOB (0.45) MAPTSMN1; SMN2HTTKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP disclosed
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP disclosed