SCHEMBL29147704

SCHEMBL29147704

CC(C)(C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ALOX5 P09917 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GALR3 O60755 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR3C2 P08235 1/20 0.39
PTGES O14684 1/20 0.38
ACP1 P24666 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
SCHEMBL29842262 1.00 NPC1 (0.47) NPC1ALOX5SMN1; SMN2HTTMAPT
SCHEMBL31270988 0.89 ALOX5 (0.53) NPC1ALOX5SMN1; SMN2HTTMAPT
SCHEMBL8137824 0.89 SMN1; SMN2 (0.52) NPC1ALOX5SMN1; SMN2HTTMAPT
SCHEMBL9049724 0.83 SMN1; SMN2 (0.48) NPC1ALOX5SMN1; SMN2HTTMAPT
SCHEMBL5272199 0.83 SMN1; SMN2 (0.48) NPC1ALOX5SMN1; SMN2HTTMAPT
SCHEMBL5221848 0.83 HTT (0.61) NPC1SMN1; SMN2HTTMAPTMEN1
SCHEMBL26641147 0.83 SMN1; SMN2 (0.45) NPC1ALOX5SMN1; SMN2HTTMAPT
SCHEMBL29735373 0.83 HTT (0.53) NPC1ALOX5SMN1; SMN2HTTMAPT
SCHEMBL1025493 0.83 HTT (0.53) NPC1ALOX5SMN1; SMN2HTTMAPT
SCHEMBL31646838 0.82 SMN1; SMN2 (0.44) NPC1ALOX5SMN1; SMN2HTTMAPT

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-116964076-A Compounds or salts thereof, and antibodies derived therefrom 味之素株式会社 2023-10-27 CN disclosed