SCHEMBL8995326

SCHEMBL8995326

CC([SeH])(Br)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 5/20 0.53
RAB9A P51151 2/20 0.50
CTDSP1 Q9GZU7 2/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
PTPN1 P18031 1/20 0.48
GSK3B P49841 1/20 0.48
FASN P49327 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
AGTR1 P30556 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
ALDH1A1 P00352 2/20 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
SCHEMBL8237871 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9ACTDSP1NPC1
SCHEMBL13246765 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9ACTDSP1NPC1
SCHEMBL10711163 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MAPTRAB9ACTDSP1NPC1
SCHEMBL29242363 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9ACTDSP1NPC1
SCHEMBL29242313 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9ACTDSP1NPC1
SCHEMBL257751 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9ACTDSP1NPC1
SCHEMBL6469949 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9ACTDSP1NPC1
SCHEMBL10941945 0.76 MAPT (0.53) SMN1; SMN2MAPTRAB9ACTDSP1NPC1
SCHEMBL29242353 0.76 MAPT (0.52) SMN1; SMN2MAPTRAB9ACTDSP1NPC1
SCHEMBL11826859 0.74 SMN1; SMN2 (0.50) SMN1; SMN2MAPTRAB9ACTDSP1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US disclosed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP disclosed