SCHEMBL6197604

SCHEMBL6197604

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MTNR1A P48039 8/20 0.45
MTNR1B P49286 7/20 0.45
MAOB P27338 3/20 0.40
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP1 P03956 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 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
SCHEMBL6197397 0.82 HTT (0.46) MAPK1MTNR1AMTNR1BMAOBHTT
SCHEMBL6195293 0.81 KDM4E (0.41) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6197640 0.79 KDM4E (0.46) MAPK1KDM4ETP53CYP2D6HTT
SCHEMBL6196471 0.79 KDM4E (0.41) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8850201 0.79 FABP4 (0.40) MAPK1KDM4ETP53CYP2D6HTT
SCHEMBL6198182 0.78 KMT2A (0.42) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6193890 0.78 LMNA (0.46) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL27481986 0.77 KMT2A (0.41) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6197536 0.76 CYP2D6 (0.38) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8850540 0.75 TNF (0.52) KDM4ETP53CYP2D6HTTSMN1; SMN2

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