SCHEMBL23907005

SCHEMBL23907005

Cn1c(CSC(=N)N)c(Br)c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
IDO1 P14902 14/20 0.48
HTT P42858 4/20 0.43
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
FPR2 P25090 1/20 0.38
ALDH3A1 P30838 4/20 0.38
ALDH1A1 P00352 2/20 0.37
ALDH2 P05091 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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 0.88 MAPT (0.49) MAPTIDO1HTTLMNASMN1; SMN2
SCHEMBL23907022 0.88 MAPT (0.47) MAPTIDO1HTTLMNASMN1; SMN2
SCHEMBL23907003 0.87 MAPT (0.61) MAPTIDO1HTTLMNASMN1; SMN2
SCHEMBL23907020 0.85 MAPT (0.54) MAPTIDO1HTTLMNASMN1; SMN2
SCHEMBL23907021 0.84 IDO1 (0.51) MAPTIDO1LMNAFPR2ALDH3A1
SCHEMBL23907019 0.81 MAPT (0.44) MAPTIDO1HTTLMNASMN1; SMN2
SCHEMBL4330035 0.79 FPR2 (0.41) MAPTSMN1; SMN2FPR2ALDH1A1CYP1A2
SCHEMBL23918516 0.75 MAPT (0.48) MAPTIDO1HTTLMNASMN1; SMN2
SCHEMBL23907010 0.72 MAPT (0.46) MAPTHTTLMNASMN1; SMN2FPR2
SCHEMBL23907025 0.71 GAA (0.48) MAPTLMNASMN1; SMN2FPR2ALDH1A1

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