SCHEMBL29006199

SCHEMBL29006199

OC(C[Se]c1ccccc1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
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
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.36
AOC3 Q16853 4/20 0.35

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
SCHEMBL29006197 1.00 MAOA (0.47) MAOASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL29006212 0.87 MAOA (0.55) MAOAKDM4ECA1CA2CA4
SCHEMBL29006211 0.87 MAOA (0.55) MAOAKDM4ECA1CA2CA4
SCHEMBL29006203 0.80 MAOA (0.53) MAOAKDM4ECA1CA2CA4
SCHEMBL29006200 0.80 MAOA (0.53) MAOAKDM4ECA1CA2CA4
SCHEMBL29006221 0.80 MAOA (0.48) MAOASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL29006220 0.80 MAOA (0.48) MAOASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL29006198 0.79 MAOA (0.47) MAOASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL29006167 0.79 MAOA (0.52) MAOAKDM4ECA1CA2CA4
SCHEMBL29006192 0.79 MAOA (0.47) MAOASLC6A2SLC6A4SLC6A3KDM4E

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