SCHEMBL28627031

SCHEMBL28627031

O=C(CO)Nc1cccc(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
ALDH1A1 P00352 3/20 0.62
HPGD P15428 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
TGM2 P21980 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
RAB9A P51151 1/20 0.54
MAPT P10636 1/20 0.54
P2RX1 P51575 1/20 0.53

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
SCHEMBL5142687 0.89 GAA (0.77) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL3715355 0.85 GAA (0.72) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL29678198 0.84 GAA (0.70) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL29388992 0.84 GAA (0.70) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL27641820 0.84 GAA (0.70) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL5690831 0.84 GAA (1.00) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL15145824 0.84 GAA (0.70) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL28712302 0.84 GAA (0.70) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL4011436 0.84 GAA (0.70) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL22743048 0.83 L3MBTL1 (0.64) GAAALDH1A1HPGDL3MBTL1SMN1; SMN2

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
CN-109761759-B Method for high-regioselectivity bromination of phenol compounds 信阳师范学院 2021-08-27 CN disclosed