SCHEMBL28906377

SCHEMBL28906377

Brc1ccc(-c2[nH]c3ccccc3c2Cc2c(-c3ccc(Br)cc3)[nH]c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
HTR2A P28223 6/20 0.47
HTR2C P28335 5/20 0.47
MAPT P10636 1/20 0.47
NR1I3 Q14994 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47

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
SCHEMBL28906516 0.85 HTR2A (0.62) HTR2AHTR2CTUBB4ATUBBTUBA3C
SCHEMBL28906369 0.82 MAPT (0.55) PTGS2HTR2AHTR2CMAPTTUBB4A
SCHEMBL28906371 0.82 HTR2A (0.61) PTGS2HTR2AHTR2CMAPTTUBB4A
SCHEMBL28906353 0.82 HTR2A (0.61) PTGS2HTR2AHTR2CMAPTTUBB4A
SCHEMBL28906409 0.81 HTR6 (0.65) HTR2AHTR2CTUBB4ATUBBTUBA3C
SCHEMBL28906447 0.81 TUBB4A (0.67) PTGS2MAPTTUBB4ATUBBTUBA3C
SCHEMBL30047360 0.81 HTR6 (0.65) HTR2AHTR2CTUBB4ATUBBTUBA3C
SCHEMBL17274470 0.79 PTGS2 (0.65) PTGS2MAPTNR1I3
SCHEMBL28906365 0.78 HTR2A (0.50) HTR2AHTR2CTUBB4ATUBBTUBA3C
SCHEMBL28906514 0.78 KDM4E (0.58) PTGS2MAPTTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304533-B Bisindolemethane type alpha-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2024-04-12 CN disclosed
CN-117567447-A Thiophene-containing bis-indolomethane type a-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2024-02-20 CN disclosed
CN-115304533-A Bis-indole methane type alpha-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2022-11-08 CN disclosed