SCHEMBL23907017

SCHEMBL23907017

Cn1c(CN2C(=O)c3ccccc3C2=O)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.44
UBE2N P61088 1/20 0.43
CASP3 P42574 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GLS O94925 1/20 0.41
ALDH1A1 P00352 2/20 0.40
BCHE P06276 3/20 0.40
PTGS2 P35354 1/20 0.40
ALOX15 P16050 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL4325939 0.79 MAPT (0.51) TSHRKMT2ALMNAMAPTPOLB
SCHEMBL13913866 0.78 MAPT (0.53) TSHRKMT2ALMNAMAPTPOLB
SCHEMBL23907004 0.78 MAPT (0.50) TSHRKMT2ALMNAMAPTPOLB
SCHEMBL8259826 0.76 MAPT (0.44) TSHRKMT2ALMNAMAPTPOLB
SCHEMBL4324271 0.76 ALDH1A1 (0.48) TSHRLMNAMAPTPOLBALDH1A1
SCHEMBL4324918 0.75 MAPT (0.48) TSHRKMT2ALMNAMAPTPOLB
SCHEMBL4332946 0.75 MAPT (0.48) TSHRKMT2ALMNAMAPTPOLB
SCHEMBL8257304 0.75 SIGMAR1 (0.44) KMT2ALMNAMAPTALDH1A1BCHE
Hydrochloric Acid SCHEMBL4319725 0.74 SIGMAR1 (0.43) LMNAMAPTALDH1A1BCHEPTGS2
SCHEMBL4329727 0.74 ALDH1A1 (0.48) TSHRLMNAMAPTPOLBALDH1A1

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