SCHEMBL847199

SCHEMBL847199

CCC(=O)c1ccccc1-c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
MPI P34949 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
BCAT2 O15382 1/20 0.42

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
SCHEMBL3420505 0.85 BCAT2 (0.57) SMN1; SMN2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL30505632 0.85 BCAT2 (0.57) SMN1; SMN2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL9125028 0.84 HSP90AB1 (0.49) SLC6A3SMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL9542216 0.84 L3MBTL1 (0.46) SLC6A3SMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL27539512 0.84 BCAT2 (0.55) SMN1; SMN2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL27628186 0.83 SLC6A4 (0.61) SLC6A3SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL28116436 0.83 LTB4R2 (0.49) SLC6A3SMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL28693105 0.83 BCAT2 (0.46) SLC6A3SMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL7536487 0.83 SLC6A4 (0.61) SLC6A3SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL28837363 0.82 ALDH1A1 (0.50) SLC6A3SMN1; SMN2MAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106547168-A A kind of black-matrix material compositionss and application 深圳市华星光电技术有限公司 2017-03-29 CN disclosed
CN-101374515-B Inhibitors of akt activity MERCK SHARP & DOHME 2013-01-09 CN disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
CN-101374515-A Inhibitors of AKT activity MERCK & CO INC (US) 2009-02-25 CN disclosed
CN-100357282-C Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-1705650-A Isothiazole derivatives, process for preparing the same, and pharmaceutical composition comprising the same CJ CORP (KR) 2005-12-07 CN disclosed