SCHEMBL28458708

SCHEMBL28458708

O=C(C=Cc1ccccc1Br)c1cc2ccccc2oc1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.73
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA1 P00915 1/20 0.54
CA3 P07451 1/20 0.54
TSHR P16473 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
GPR35 Q9HC97 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
NT5E P21589 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
KMT2A Q03164 1/20 0.52
MAOA P21397 2/20 0.50

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
SCHEMBL28245359 0.86 MAOB (0.75) MAOBCA12CA9CA1CA3
SCHEMBL28245355 0.86 MAOB (0.75) MAOBCA12CA9CA1CA3
SCHEMBL28459080 0.85 MAOB (0.73) MAOBCA12CA9CA1CA3
SCHEMBL28459079 0.85 MAOB (0.73) MAOBCA12CA9CA1CA3
SCHEMBL28458739 0.85 MAOB (1.00) MAOBCA12CA9CA1CA3
SCHEMBL28459640 0.82 MAOB (0.62) MAOBCA12CA9CA1CA3
SCHEMBL10700841 0.81 MAOB (0.69) MAOBCA12CA9CA1CA3
SCHEMBL28458698 0.81 MAOB (0.69) MAOBKDM4EMEN1KMT2AMAOA
SCHEMBL28468115 0.81 MAOB (0.69) MAOBCA12CA9CA1CA3
SCHEMBL28458699 0.81 MAOB (0.69) MAOBKDM4EMEN1KMT2AMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111588718-B Alpha-glucosidase inhibitor and application thereof 五邑大学 2021-06-08 CN disclosed
CN-111588718-A Alpha-glucosidase inhibitor and application thereof 五邑大学 2020-08-28 CN disclosed