SCHEMBL23907007

SCHEMBL23907007

Cc1ccc(-n2c(=O)c(Br)c(C)n2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 2/20 0.46
BCHE P06276 1/20 0.46
PTGS2 P35354 1/20 0.46
TSHR P16473 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
POLB P06746 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
XBP1 P17861 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.44
NAPRT Q6XQN6 1/20 0.44

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 0.86 KMT2A (0.51) ALDH1A1ALOX15BCHEPTGS2TSHR
SCHEMBL23907025 0.86 GAA (0.48) ALDH1A1ALOX15BCHEPTGS2TSHR
SCHEMBL23907012 0.85 BCHE (0.64) ALDH1A1ALOX15BCHEPTGS2TSHR
SCHEMBL23907014 0.83 KMT2A (0.52) ALDH1A1ALOX15BCHEPTGS2KMT2A
SCHEMBL23907006 0.83 BCHE (0.53) ALDH1A1ALOX15BCHEPTGS2TSHR
SCHEMBL23907011 0.82 FPR2 (0.49) ALDH1A1ALOX15BCHEPTGS2TSHR
SCHEMBL23907013 0.81 BCHE (0.39) ALDH1A1ALOX15BCHEPTGS2TSHR
SCHEMBL23907026 0.80 ALDH1A1 (0.40) ALDH1A1ALOX15BCHEPTGS2TSHR
SCHEMBL8258700 0.78 TSHR (0.48) ALDH1A1ALOX15BCHEPTGS2TSHR
SCHEMBL6262072 0.78 BCHE (0.74) ALDH1A1ALOX15BCHEPTGS2TSHR

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