SCHEMBL4453392

SCHEMBL4453392

C[C](CC(C)=O)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
PARP1 P09874 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.49
OGG1 O15527 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.47
MTOR P42345 2/20 0.47
TP53BP1 Q12888 1/20 0.47

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
SCHEMBL2822591 0.85 L3MBTL1 (0.56) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL3186035 0.83 PARP1 (0.56) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL16955875 0.80 C1S (0.50) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL16962176 0.79 C1S (0.48) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL30277354 0.78 PARP1 (0.63) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL3169 0.78 PARP1 (0.63) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL749086 0.78 C1S (0.56) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL16952703 0.77 C1S (0.47) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL16960675 0.77 L3MBTL1 (0.50) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL1814265 0.76 SMN1; SMN2 (0.56) L3MBTL1PARP1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134617-A1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2009-11-05 WO disclosed