SCHEMBL23907013

SCHEMBL23907013

Cc1cc(C)cc(-n2c(=O)c(Br)c(C)n2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.39
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGS2 P35354 1/20 0.39
HSP90AA1 P07900 1/20 0.38
CCR6 P51684 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 2/20 0.37
THRB P10828 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL23907007 0.81 ALDH1A1 (0.46) BCHEALOX15ALDH1A1PTGS2HSP90AA1
SCHEMBL23907037 0.80 MAPT (0.34) BCHEHSP90AA1CCR6LMNAMAPT
SCHEMBL23907012 0.78 BCHE (0.64) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907025 0.75 GAA (0.48) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907014 0.73 KMT2A (0.52) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907006 0.73 BCHE (0.53) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907019 0.72 MAPT (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL23907011 0.71 FPR2 (0.49) BCHEALOX15ALDH1A1PTGS2HSP90AA1
SCHEMBL23907036 0.67 NAPRT (0.63) ALDH1A1HSP90AA1CCR6LMNANAPRT
SCHEMBL3529760 0.66 SMURF1 (0.42) BCHEALOX15ALDH1A1PTGS2LMNA

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