SCHEMBL6691573

SCHEMBL6691573

CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.66
MAPT P10636 7/20 0.62
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 6/20 0.60
HPGD P15428 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
TP53 P04637 2/20 0.58
CASP1 P29466 2/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPK1 P28482 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
GLA P06280 1/20 0.55
HTT P42858 3/20 0.54
RECQL P46063 1/20 0.54
POLB P06746 4/20 0.54

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
SCHEMBL4920382 0.81 MAPT (0.65) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL5713545 0.79 MAPT (0.67) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL6694058 0.77 MAPT (0.84) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL4919617 0.76 MEN1 (0.65) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL2753869 0.75 KMT2A (0.70) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL2754063 0.74 MEN1 (0.60) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL3057573 0.73 LMNA (0.60) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL21821838 0.73 MAPT (0.76) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL4816530 0.72 MEN1 (0.72) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL665000 0.72 TP53 (0.81) LMNAMAPTALDH1A1KDM4EHPGD

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-2004078115-A2 BENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF ROTAVIRUS INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA, INCORPORATED (US) 2004-09-16 WO claimed