SCHEMBL23907009

SCHEMBL23907009

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
BCHE P06276 3/20 0.38
PTGS2 P35354 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL23907003 0.80 MAPT (0.61) MAPTALOX15ALDH1A1LMNAKDM4E
SCHEMBL4325939 0.77 MAPT (0.51) MAPTALOX15ALDH1A1LMNAKDM4E
SCHEMBL23907010 0.76 MAPT (0.46) MAPTALOX15ALDH1A1LMNATSHR
SCHEMBL13913866 0.76 MAPT (0.53) MAPTALOX15ALDH1A1LMNAKDM4E
SCHEMBL23907004 0.76 MAPT (0.50) MAPTALOX15ALDH1A1LMNAKDM4E
SCHEMBL23907020 0.73 MAPT (0.54) MAPTALOX15ALDH1A1LMNAKDM4E
SCHEMBL4324918 0.73 MAPT (0.48) MAPTALOX15ALDH1A1LMNAKDM4E
SCHEMBL4332946 0.73 MAPT (0.48) MAPTALOX15ALDH1A1LMNAKDM4E
SCHEMBL4326250 0.71 PTGS2 (0.49) MAPTALOX15ALDH1A1LMNAKDM4E
SCHEMBL23907017 0.70 TSHR (0.49) MAPTALOX15ALDH1A1LMNATSHR

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