SCHEMBL28008522

SCHEMBL28008522

Cc1cc(C)n(OC(=O)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ENPP3 O14638 3/20 0.44
ALPL P05186 3/20 0.44
XIAP P98170 3/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 3/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL27836117 0.75 HSD17B10 (0.44) ALDH1A1MAPTL3MBTL1ENPP3ALPL
SCHEMBL27564845 0.72 TSHR (0.44) TDP1ALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL3506128 0.72 TSHR (0.52) TDP1ALDH1A1MAPTL3MBTL1POLB
SCHEMBL27854323 0.71 TSHR (0.43) TDP1ALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL23564635 0.70 ENPP3 (0.47) TDP1ALDH1A1MAPTL3MBTL1ENPP3
SCHEMBL13879706 0.68 HDAC3 (0.57) GAARAB9A
SCHEMBL27464997 0.68 TSHR (0.47) TDP1ALDH1A1MAPTPOLBKMT2A
SCHEMBL31055014 0.68 RAB9A (0.73) ALDH1A1POLBKMT2AGAARAB9A
SCHEMBL4417365 0.67 LMNA (0.48) TDP1ALDH1A1MAPTPOLBKMT2A
SCHEMBL16797417 0.65 LMNA (0.50) TDP1ALDH1A1MAPTL3MBTL1POLB

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
CN-102369196-B Azetidines as histamine h3 receptor antagonists EVOTEC NEUROSCIENCES GMBH 2015-05-20 CN disclosed