SCHEMBL11054646

SCHEMBL11054646

COC(=O)CN(C)C(=O)c1ccc2c(Br)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NCEH1 Q6PIU2 3/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL11056745 0.88 SLC9A1 (0.45) SLC9A1NPC1RAB9ANCEH1POLB
SCHEMBL7600465 0.81 SLC9A1 (0.51) SLC9A1NCEH1HTTMEN1KMT2A
SCHEMBL11057263 0.79 NCEH1 (0.46) NPC1RAB9ANCEH1POLBHTT
SCHEMBL5762353 0.78 LCK (0.56) SLC9A1HTT
SCHEMBL10391363 0.77 KMT2A (0.47) POLBMEN1KMT2AL3MBTL1TDP1
SCHEMBL11047891 0.75 SLC9A1 (0.48) SLC9A1NCEH1HTTMEN1KMT2A
SCHEMBL12569622 0.75 TDP1 (0.54) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL11169641 0.74 L3MBTL1 (0.40) NPC1RAB9ANCEH1POLBL3MBTL1
SCHEMBL12086947 0.74 POLB (0.52) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL10390871 0.73 MTNR1A (0.47) POLB

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