SCHEMBL6687323

SCHEMBL6687323

O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.81
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
GAA P10253 2/20 0.77
MAPK1 P28482 2/20 0.77
TP53 P04637 3/20 0.67
LMNA P02545 2/20 0.67
POLB P06746 3/20 0.61
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
HPGD P15428 1/20 0.60
USP2 O75604 2/20 0.60
HSD17B10 Q99714 2/20 0.60
NPC1 O15118 1/20 0.60
TSHR P16473 1/20 0.60
RAB9A P51151 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58

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
SCHEMBL6691075 0.85 MAPT (0.82) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL6684638 0.83 MAPT (0.84) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL21682206 0.74 ALDH1A1 (0.70) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL6694058 0.74 MAPT (0.84) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL4955536 0.74 KMT2A (0.82) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL6228041 0.73 DUSP3 (0.71) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL5097705 0.73 MAPT (0.61) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL14516676 0.73 KMT2A (0.73) MEN1KMT2AGAAMAPK1POLB
SCHEMBL8087450 0.72 MAPK1 (0.59) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL17073220 0.71 MAPT (0.98) MAPTMEN1KMT2AGAAMAPK1

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
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
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 disclosed