SCHEMBL3624482

SCHEMBL3624482

COc1cccc(OC(N)=O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.53
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA4 P22748 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1955193 0.88 CA12 (0.50) NFE2L2TSHRSMN1; SMN2KDM4ELMNA
Acetamide SCHEMBL9643066 0.86 NFE2L2 (0.53) NFE2L2TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL28945296 0.85 CA1 (0.47) NFE2L2TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL13400205 0.84 NFE2L2 (0.43) NFE2L2SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL2160010 0.84 NFE2L2 (0.56) NFE2L2TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL3952526 0.84 CA1 (0.59) TSHRSMN1; SMN2KDM4ELMNACA12
SCHEMBL3327023 0.82 MAPK1 (0.58) NFE2L2TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL2160012 0.82 NFE2L2 (0.54) NFE2L2TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL6963260 0.82 NFE2L2 (0.54) NFE2L2TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL28953567 0.82 CA12 (0.48) TSHRSMN1; SMN2KDM4ELMNAHPGD

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-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed