SCHEMBL3840412

SCHEMBL3840412

O=C(O)c1cc(-c2ccccc2)cc(-c2cocn2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.49
DHODH Q02127 4/20 0.49
KMO O15229 2/20 0.49
EGFR P00533 1/20 0.45
HDAC4 P56524 1/20 0.44
CTRC Q99895 1/20 0.43
LDHA P00338 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL2986666 0.87 DHODH (0.50) DHODHHDAC4CTRC
SCHEMBL6166963 0.86 KMO (0.53) SCN9AKMOHDAC4
SCHEMBL14564377 0.82 SCN9A (0.62) SCN9AKMOEGFRHDAC4
SCHEMBL4266117 0.78 KMO (0.75) DHODHKMOEGFRCTRC
SCHEMBL4765377 0.77 HDAC4 (0.50) HDAC4LDHALOXL2
SCHEMBL27607302 0.76 HDAC4 (0.51) SCN9AHDAC4CTRC
SCHEMBL648786 0.76 SCN9A (0.53) SCN9AHDAC4
SCHEMBL28462472 0.76 DHODH (0.75) DHODHKMOEGFRCTRC
Hydrochloric Acid SCHEMBL28453167 0.74 DHODH (0.72) DHODHKMOEGFRCTRC
SCHEMBL1768904 0.74 DHODH (0.77) DHODHKMOEGFRCTRC

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-2091927-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-Roche AG (CH) 2009-08-26 EP disclosed
WO-2008055840-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed