SCHEMBL4686872

SCHEMBL4686872

CCCCOC(=O)NC(CC(=O)O)c1cncn1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.39
HRH4 Q9H3N8 5/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5500079 0.78 L3MBTL1 (0.40) HRH3HRH4NPC1RAB9ASMN1; SMN2
SCHEMBL4686868 0.75 ITGB3 (0.43) HRH3HRH4
SCHEMBL5498527 0.75 L3MBTL1 (0.50) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL844472 0.75 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL14040614 0.75 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL4759546 0.74 SMN1; SMN2 (0.37) HRH3HRH4NPC1RAB9ASMN1; SMN2
SCHEMBL2358938 0.73 MMP12 (0.48) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL5085765 0.73 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL16680706 0.72 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL2320404 0.72 FAAH (0.59) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed