SCHEMBL23907004

SCHEMBL23907004

Cn1c(CS)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
BCHE P06276 4/20 0.45
ALOX15 P16050 2/20 0.45
PTGS2 P35354 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 4/20 0.43
CYP1A2 P05177 2/20 0.43
THRB P10828 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4325939 0.85 MAPT (0.51) MAPTBCHEALOX15PTGS2ALDH1A1
SCHEMBL13913866 0.84 MAPT (0.53) MAPTBCHEALOX15PTGS2ALDH1A1
SCHEMBL4324918 0.81 MAPT (0.48) MAPTBCHEALOX15PTGS2ALDH1A1
SCHEMBL4332946 0.81 MAPT (0.48) MAPTBCHEALOX15PTGS2ALDH1A1
SCHEMBL4326250 0.79 PTGS2 (0.49) MAPTBCHEALOX15PTGS2ALDH1A1
SCHEMBL23907017 0.78 TSHR (0.49) MAPTBCHEALOX15PTGS2ALDH1A1
SCHEMBL23907032 0.77 MAPT (0.45) MAPTBCHEALOX15PTGS2ALDH1A1
SCHEMBL23907003 0.77 MAPT (0.61) MAPTBCHEALOX15PTGS2ALDH1A1
SCHEMBL4332912 0.77 LMNA (0.49) MAPTBCHEALOX15PTGS2LMNA
SCHEMBL23907012 0.76 BCHE (0.64) MAPTBCHEALOX15PTGS2ALDH1A1

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
EP-3892734-B1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2024-08-28 EP disclosed
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed