SCHEMBL4574526

SCHEMBL4574526

[c]1nc2c(C3NCCS3)cccc2s1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ERN1 O75460 1/20 0.32

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
SCHEMBL6083736 0.70 CYP11B2 (0.34)
SCHEMBL558602 0.69 DRD2 (0.44)
SCHEMBL5217048 0.68
SCHEMBL8518157 0.68 NUDT1 (0.40) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL4655299 0.67 MAPT (0.66) MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL30683723 0.66 ERN1 (0.48) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL4471718 0.66 LMNA (0.32) MAPTSMN1; SMN2
SCHEMBL8951248 0.65 MAPT (0.44) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL27288856 0.65 SMN1; SMN2 (0.51) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL7744554 0.65 MAPT (0.53) MAPTTDP1SMN1; SMN2ALDH1A1ERN1

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
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed