SCHEMBL29006192

SCHEMBL29006192

O[C@@H](C[Se]c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
IGF1R P08069 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.43
SLC18A3 Q16572 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CXCR3 P49682 1/20 0.39
AOC3 Q16853 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL28459225 1.00 MAOA (0.47) MAOAIGF1RMEN1KMT2AHTR2A
SCHEMBL29006211 0.87 MAOA (0.55) MAOACA1CA2CA4CA7
SCHEMBL29006212 0.87 MAOA (0.55) MAOACA1CA2CA4CA7
SCHEMBL29006203 0.84 MAOA (0.53) MAOAMEN1KMT2ACA1CA2
SCHEMBL29006221 0.84 MAOA (0.48) MAOACA1CA2CA4CA7
SCHEMBL29006220 0.84 MAOA (0.48) MAOACA1CA2CA4CA7
SCHEMBL29006200 0.84 MAOA (0.53) MAOAMEN1KMT2ACA1CA2
SCHEMBL29006198 0.82 MAOA (0.47) MAOACA1CA2CA4CA7
SCHEMBL29006201 0.82 MAOA (0.47) MAOACA1CA2CA4CA7
SCHEMBL29006167 0.82 MAOA (0.52) MAOAMEN1KMT2ACA1CA2

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-116178232-A Chiral hydroxy seleno ether and asymmetric synthesis method thereof 湖北滋兰生物医药科技有限公司 2023-05-30 CN disclosed