SCHEMBL7260309

SCHEMBL7260309

O=C(O)C(Br)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CFTR P13569 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
GOPC Q9HD26 1/20 0.53
TBXAS1 P24557 4/20 0.51
ALDH1A1 P00352 1/20 0.48
APP P05067 1/20 0.48
GAA P10253 1/20 0.48
HCAR3 P49019 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
KCNN4 O15554 2/20 0.47
KCNA5 P22460 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GRM8 O00222 1/20 0.46
GRM4 Q14833 1/20 0.46
NAPRT Q6XQN6 1/20 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
SCHEMBL27903781 0.85 F7 (0.48) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL7140967 0.84 SMN1; SMN2 (0.51) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Bromide SCHEMBL6282444 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1533618 0.82 SRC (0.58) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL11148954 0.80 SMN1; SMN2 (0.43) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8948339 0.80 ALDH1A1 (0.49) SMN1; SMN2TBXAS1ALDH1A1GAAKCNA5
SCHEMBL197024 0.80 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL31404936 0.80 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL10170624 0.80 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2684159 0.80 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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
WO-2003099801-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-12-04 WO disclosed