SCHEMBL3406437

SCHEMBL3406437

CCC(=O)c1cccc(Cl)c1Br.O=C(CCCl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HDAC1 Q13547 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
MAPK1 P28482 1/20 0.39
GSK3B P49841 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 3/20 0.39
HDAC8 Q9BY41 4/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR4A2 P43354 1/20 0.38
KMT2A Q03164 2/20 0.38
HTR1A P08908 1/20 0.38
SMO Q99835 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL16984656 0.84 TAS1R3 (0.41) SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL3406445 0.78 ERCC5 (0.46) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL2475812 0.75 F2R (0.43) SMN1; SMN2ALDH1A1L3MBTL1LMNATDP1
SCHEMBL116339 0.74 MAPK1 (0.67) SMN1; SMN2HDAC1ALDH1A1TRPA1MAPK1
SCHEMBL7931239 0.72 AKR1C3 (0.52) SMN1; SMN2ALDH1A1L3MBTL1MAPTLMNA
Ethylene SCHEMBL11817466 0.71 MAPK1 (0.61) SMN1; SMN2HDAC1ALDH1A1TRPA1MAPK1
SCHEMBL2837238 0.71 ERCC5 (0.58) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL15979727 0.70 NR4A2 (0.59) SMN1; SMN2HDAC1ALDH1A1TRPA1MAPK1
SCHEMBL5057138 0.70 PTPN1 (0.50) ALDH1A1GSK3BKMT2AMEN1
Hydrochloric Acid SCHEMBL30461901 0.69 ERCC5 (0.56) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214650-A2 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS Biovail Laboratories International SRL (BB) 2010-08-11 EP disclosed
WO-2010015692-A2 BUPROPION HYDROBROMIDE POLYMORPHS BIOVAIL LABORATORIES INTERNATIONAL SRL (BB) 2010-02-11 WO disclosed
WO-2009056550-A2 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS BIOVAIL LABORATORIES INTERNATIONAL SRL (BB) 2009-05-07 WO disclosed