SCHEMBL27645593

SCHEMBL27645593

CC(C)(C)C(=O)ON(N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.44
AOC3 Q16853 1/20 0.44
RIPK1 Q13546 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
AKT1 P31749 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL28304455 0.84 AOC3 (0.47) POLBAOC3MEN1KMT2AHTT
SCHEMBL28146646 0.81 RIPK1 (0.49) POLBRECQLRIPK1MEN1KMT2A
SCHEMBL27493606 0.75 MAOB (0.41) POLBRECQLAOC3RIPK1MEN1
SCHEMBL23803543 0.74 RIPK1 (0.60) POLBRECQLRIPK1MEN1KMT2A
SCHEMBL23819888 0.74 RIPK1 (0.46) POLBRECQLRIPK1MEN1KMT2A
Bromide SCHEMBL9551291 0.72 POLB (0.51) POLBRECQLAOC3RIPK1MEN1
SCHEMBL8773482 0.71 MEN1 (0.69) RECQLRIPK1MEN1KMT2AHTT
SCHEMBL27292941 0.70 AOC3 (0.58) AOC3NPC1RAB9ACA12CA9
SCHEMBL2061999 0.70 AKT1 (0.50) AOC3RIPK1MEN1KMT2AHTT
SCHEMBL8256930 0.70 SMN1; SMN2 (0.65) POLBRECQLMEN1KMT2AL3MBTL1

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
CN-100422179-C 2-amino-5-benzoylthiazole npy antagonists HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
CN-1852907-A 2-amino-5-benzoylthiazole npy antagonists HOFFMANN LA ROCHE (CH) 2006-10-25 CN disclosed