SCHEMBL23907006

SCHEMBL23907006

Cc1c(Br)c(=O)n(-c2ccc(-c3ccccc3)cc2)n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.53
ALOX15 P16050 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PTGS2 P35354 1/20 0.53
LMNA P02545 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
TSHR P16473 3/20 0.50
CYP1A2 P05177 2/20 0.50
THRB P10828 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
POLB P06746 3/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
G6PD P11413 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL23907012 0.90 BCHE (0.64) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907007 0.83 ALDH1A1 (0.46) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23918432 0.81 BCHE (0.57) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907032 0.80 MAPT (0.45) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL3528653 0.80 KMT2A (0.51) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907025 0.80 GAA (0.48) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907014 0.77 KMT2A (0.52) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907011 0.76 FPR2 (0.49) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL6889907 0.75 ALDH1A1 (0.62) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL28914842 0.73 ALDH1A1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed