SCHEMBL11057263

SCHEMBL11057263

COC(=O)CN(C)C(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.46
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
SIRT1 Q96EB6 1/20 0.41
PLAU P00749 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 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
SCHEMBL11049872 0.86 NCEH1 (0.43) NCEH1POLBL3MBTL1NPC1RAB9A
SCHEMBL192728 0.79 NCEH1 (0.54) NCEH1POLBL3MBTL1RAB9ALMNA
SCHEMBL11054646 0.79 SLC9A1 (0.47) NCEH1POLBL3MBTL1NPC1RAB9A
SCHEMBL181238 0.75 PLAU (0.61) NCEH1LMNAPLAUHTTATM
SCHEMBL30369699 0.75 PLAU (0.61) NCEH1LMNAPLAUHTTATM
SCHEMBL12569622 0.74 TDP1 (0.54) POLBL3MBTL1NPC1RAB9AMEN1
SCHEMBL11169641 0.73 L3MBTL1 (0.40) NCEH1POLBL3MBTL1NPC1RAB9A
SCHEMBL12086947 0.72 POLB (0.52) POLBL3MBTL1NPC1RAB9ALMNA
SCHEMBL11053906 0.72 NCEH1 (0.43) NCEH1POLBL3MBTL1NPC1RAB9A
SCHEMBL95796 0.72 POLB (0.40) POLBL3MBTL1NPC1RAB9AMEN1

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
US-4447452-A ANTIDIABETIC AGENT AYERST, MCKENNA & HARRISON INC. (CA) 1984-05-08 US disclosed