SCHEMBL11566980

SCHEMBL11566980

CC(C)COc1ccc(NC(=O)C2(C)CC2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALOX15 P16050 1/20 0.41
XDH P47989 1/20 0.40
MET P08581 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
PTGER1 P34995 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BACE1 P56817 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL11565021 0.85 MET (0.49) SMN1; SMN2METBACE1
SCHEMBL11564649 0.84 RORC (0.46) SMN1; SMN2XDHMAPTTP53NPC1
SCHEMBL11565226 0.82 BRAF (0.47) SMN1; SMN2ALOX15XDHMETNPSR1
SCHEMBL11050893 0.80 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1MAPTTP53NPC1
SCHEMBL11565436 0.79 HDAC1 (0.39) NPSR1MAPTNPC1LMNARAB9A
SCHEMBL11558200 0.74 CETP (0.41) SMN1; SMN2MAPTNPC1LMNARAB9A
SCHEMBL11442327 0.72 RORC (0.45) SMN1; SMN2MAPTTP53NPC1LMNA
SCHEMBL11439258 0.72 TDP1 (0.47) SMN1; SMN2MAPTTP53NPC1LMNA
SCHEMBL11442118 0.72 KCNK3 (0.49) SMN1; SMN2NPSR1MAPTLMNAMEN1
SCHEMBL11435252 0.72 RORC (0.47) SMN1; SMN2MAPTTP53NPC1RAB9A

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-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed