SCHEMBL3406445

SCHEMBL3406445

CCC(=O)c1cccc(Cl)c1.CCC(=O)c1cccc(Cl)c1Br

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 5/20 0.43
PARP1 P09874 1/20 0.41
HPGD P15428 3/20 0.40
CXCR3 P49682 1/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.38
GAA P10253 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
SCHEMBL16984656 0.87 TAS1R3 (0.41) ERCC5FEN1SMN1; SMN2KMT2ANPC1
SCHEMBL116338 0.83 ERCC5 (0.61) ERCC5FEN1SMN1; SMN2MEN1KMT2A
SCHEMBL3406437 0.78 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL28016993 0.77 ERCC5 (0.51) ERCC5FEN1SMN1; SMN2MEN1KMT2A
SCHEMBL8020335 0.74 SLC6A2 (0.50) ERCC5FEN1SMN1; SMN2MEN1KMT2A
SCHEMBL2475812 0.74 F2R (0.43) ERCC5FEN1SMN1; SMN2MEN1KMT2A
Tert-Butylamine SCHEMBL3326036 0.74 PARP1 (0.50) ERCC5FEN1SMN1; SMN2MEN1KMT2A
SCHEMBL18184926 0.72 ERCC5 (0.56) ERCC5FEN1SMN1; SMN2MEN1KMT2A
SCHEMBL5057138 0.72 PTPN1 (0.50) ERCC5FEN1MEN1KMT2AALDH1A1
SCHEMBL15979728 0.72 ERCC5 (0.51) ERCC5FEN1SMN1; SMN2MEN1KMT2A

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