SCHEMBL23907011

SCHEMBL23907011

Cc1c(Br)c(=O)n(-c2ccc(C(F)(F)F)cc2)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.49
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
BCHE P06276 1/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
G6PD P11413 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL3528653 0.82 KMT2A (0.51) FPR2ALDH1A1ALOX15BCHEPTGS2
SCHEMBL23907007 0.82 ALDH1A1 (0.46) FPR2ALDH1A1ALOX15BCHEPTGS2
SCHEMBL4321369 0.81 FPR2 (0.49) FPR2GSK3AGSK3BALDH1A1ALOX15
SCHEMBL23918421 0.81 MAPT (0.39) FPR2GSK3AGSK3BALDH1A1MAPT
SCHEMBL23907024 0.81 FPR2 (0.39) FPR2GSK3AGSK3BALDH1A1MAPT
SCHEMBL23907025 0.79 GAA (0.48) FPR2ALDH1A1ALOX15BCHEPTGS2
SCHEMBL23907012 0.78 BCHE (0.64) ALDH1A1ALOX15BCHEPTGS2POLB
SCHEMBL23907014 0.76 KMT2A (0.52) FPR2ALDH1A1ALOX15BCHEPTGS2
SCHEMBL23907006 0.76 BCHE (0.53) ALDH1A1ALOX15BCHEPTGS2POLB
SCHEMBL23907021 0.74 IDO1 (0.51) FPR2GSK3AGSK3BALDH1A1ALOX15

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