SCHEMBL23907003

SCHEMBL23907003

Cn1c(CSC(=N)N)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
IDO1 P14902 6/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
LMNA P02545 4/20 0.44
BCHE P06276 1/20 0.42
PTGS2 P35354 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
GAA P10253 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
SCHEMBL23907020 0.92 MAPT (0.54) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL23907008 0.88 MAPT (0.49) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL23918516 0.88 MAPT (0.48) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL23907005 0.87 MAPT (0.48) MAPTSMN1; SMN2HTTALDH1A1IDO1
SCHEMBL23907022 0.85 MAPT (0.47) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL23907021 0.84 IDO1 (0.51) MAPTALDH1A1IDO1NOS3NOS1
SCHEMBL23907019 0.83 MAPT (0.44) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL23907009 0.80 MAPT (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13913866 0.80 MAPT (0.53) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL4325939 0.78 MAPT (0.51) MAPTSMN1; SMN2HTTALDH1A1KDM4E

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 2 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