SCHEMBL23907010

SCHEMBL23907010

Cc1ccc(-n2c(=O)c(Br)c(CSCc3c(Br)c(=O)n(-c4ccc(C)cc4)n3C)n2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.35
ELANE P08246 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F2 P00734 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CTRC Q99895 1/20 0.34
POLB P06746 2/20 0.34
BCHE P06276 3/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL23907008 0.85 MAPT (0.49) MAPTALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL23907026 0.84 ALDH1A1 (0.40) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL23907007 0.77 ALDH1A1 (0.46) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL23907009 0.76 MAPT (0.55) MAPTALDH1A1LMNABCHEPTGS2
SCHEMBL4339501 0.72 PTGS2 (0.48) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL23907005 0.72 MAPT (0.48) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL4329727 0.72 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL23907003 0.71 MAPT (0.61) MAPTALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL23907019 0.71 MAPT (0.44) MAPTALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL4325939 0.70 MAPT (0.51) MAPTALDH1A1SMN1; SMN2HTTLMNA

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