SCHEMBL6197397

SCHEMBL6197397

CC(=O)NCCn1ccc(=O)c(OCc2ccccc2)c1C(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 3/20 0.40
MAOB P27338 2/20 0.40
MTNR1B P49286 2/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL6194946 0.85 HTT (0.49) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21082280 0.84 MEN1 (0.64) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6196888 0.83 HTT (0.48) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8849907 0.83 HTT (0.46) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6195834 0.83 HTT (0.47) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6197604 0.82 MAPK1 (0.48) HTTSMN1; SMN2MAPK1MTNR1AMAOB
SCHEMBL6196490 0.82 SMN1; SMN2 (0.49) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27480829 0.81 HTT (0.50) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6193627 0.81 HTT (0.49) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6194653 0.81 SPHK2 (0.48) HTTSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP disclosed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP disclosed