SCHEMBL28384356

SCHEMBL28384356

CC(=O)c1sc(Br)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.42
CYP3A4 P08684 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA5A P35218 1/20 0.38
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL3230443 0.80 GSK3B (0.59) GSK3BCYP3A4HPGDMEN1KMT2A
SCHEMBL31223143 0.80 GSK3B (0.44) GSK3BHPGDCA5AMAPK1ALDH1A1
SCHEMBL5860697 0.78 GSK3B (0.42) GSK3BCYP3A4HPGDMEN1KMT2A
SCHEMBL1374020 0.78 TSHR (0.44) GSK3BCYP3A4HPGDKMT2AMAPK1
SCHEMBL28378935 0.77 GSK3B (0.41) GSK3BCYP3A4HPGDMEN1KMT2A
SCHEMBL15960083 0.77 MAPT (0.51) GSK3BCYP3A4HPGDMEN1KMT2A
SCHEMBL13277701 0.77 GSK3B (0.41) GSK3BCYP3A4HPGDMEN1KMT2A
SCHEMBL13466828 0.77 GSK3B (0.41) GSK3BCYP3A4HPGDMEN1KMT2A
SCHEMBL8929358 0.76 CYP3A4 (0.43) GSK3BCYP3A4HPGDMEN1KMT2A
SCHEMBL28383354 0.75 GSK3B (0.40) GSK3BMEN1KMT2AMAPK1ALDH1A1

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-108864326-B Photocurable composition and use thereof 湖北固润科技股份有限公司 2020-10-13 CN disclosed
CN-108864136-B 3, 4-ethylenedioxythiophene derivative and preparation method and application thereof 湖北固润科技股份有限公司 2020-04-24 CN disclosed