SCHEMBL28079809

SCHEMBL28079809

COc1ccccc1NCBr

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 4/20 0.44

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
SCHEMBL10632588 0.83 CHRM2 (0.59) CHRM2MAPTALDH1A1NPC1GAA
SCHEMBL1022424 0.81 CHRM2 (0.58) CHRM2MAPTALDH1A1NPC1GAA
SCHEMBL30994802 0.81 CHRM2 (0.58) CHRM2MAPTALDH1A1NPC1GAA
Hydrochloric Acid SCHEMBL27890009 0.79 CHRM2 (0.61) CHRM2MAPTALDH1A1NPC1GAA
SCHEMBL10201681 0.79 CHRM2 (0.56) CHRM2MAPTALDH1A1NPC1GAA
SCHEMBL25085547 0.79 CHRM2 (0.56) CHRM2MAPTALDH1A1NPC1GAA
SCHEMBL5544539 0.79 CHRM2 (0.56) CHRM2MAPTALDH1A1NPC1GAA
SCHEMBL1644001 0.78 CHRM2 (0.64) CHRM2MAPTALDH1A1NPC1GAA
SCHEMBL10055049 0.78 ALDH1A1 (0.55) CHRM2MAPTALDH1A1GAARAB9A
SCHEMBL11120962 0.76 CHRM2 (0.53) CHRM2MAPTALDH1A1NPC1GAA

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-103687857-B The fluoride ions indicator of kytoplasm 阿桑特研究公司 2016-11-09 CN disclosed