SCHEMBL7643441

SCHEMBL7643441

CCN(CC)C(=O)c1c(OCc2ccccc2)c(=O)cc(C)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP1 P03956 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
APP P05067 2/20 0.39
TSPO P30536 1/20 0.39
LTB4R Q15722 1/20 0.39

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
SCHEMBL1206421 0.85 MEN1 (0.45) LMNAMEN1KMT2AHPGDNPC1
Methylamine SCHEMBL1207581 0.83 MEN1 (0.43) LMNAMEN1KMT2AHPGDNPC1
SCHEMBL14539771 0.83 KDM4E (0.44) LMNAMEN1KMT2AHPGDNPC1
SCHEMBL5165003 0.81 MMP1 (0.46) LMNAMEN1KMT2AHPGDNPC1
SCHEMBL1207584 0.79 LMNA (0.44) LMNAMEN1KMT2AHPGDNPC1
SCHEMBL338839 0.76 RIPK1 (0.46) MEN1KMT2AALDH1A1MMP1MMP7
SCHEMBL15486359 0.75 MEN1 (0.45) LMNAMEN1KMT2AHPGDNPC1
SCHEMBL19331149 0.75 HPGD (0.45) LMNAMEN1KMT2AHPGDNPC1
SCHEMBL338494 0.75 KMT2A (0.52) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL338594 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1

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
US-6476229-B1 Processes for the manufacturing of 3-hydroxy-N,1,6-trialkyl-4-oxo-1,4-dihydropyridine-2-carboxamide APOTEX, INC. (CA) 2002-11-05 US disclosed
US-6472532-B1 INEXPENSIVE METHOD USING KOJIC ACID AS SAFE STARTING MATERIAL FOR SYNTHESIS OF ORALLY ACTIVE IRON CHELATORS APOTEX, INC. (CA) 2002-10-29 US disclosed
US-6426418-B1 REACTING A 3-OXY-2-HYDROXYALKYL-4H-PYRAN-4-ONE DERIVATIVE WITH SODIUM HYPOCHLORITE SOLUTION, POTASSIUM BROMIDE, TEMPO, AND A PHASE TRANSFER CATALYST TO PRODUCE A 3-OXY-2-CARBOXY-4H-PYRAN-4-ONE DERIVATIVE APOTEX, INC. (CA) 2002-07-30 US disclosed