SCHEMBL6686746

SCHEMBL6686746

CCOC(=O)CC1=NS(=O)(=O)c2cc(OC)c(Cl)cc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HTR1A P08908 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
DPP4 P27487 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL6689528 0.86 MEN1 (0.39) MAPTNPC1ALDH1A1CYP3A4CYP2D6
SCHEMBL5097715 0.80 KMT2A (0.42) MAPTL3MBTL1NPC1ALDH1A1CYP3A4
SCHEMBL6233072 0.78 RECQL (0.40) MAPTNPC1ALDH1A1CYP3A4CYP2D6
SCHEMBL5098238 0.77 MEN1 (0.41) NPC1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6686449 0.76 MAPT (0.35) MAPTALDH1A1TSHRGAALMNA
SCHEMBL6686427 0.75 LMNA (0.40) MAPTHTR1AALDH1A1TSHRSMN1; SMN2
SCHEMBL5097658 0.75 ALDH1A1 (0.54) MAPTNPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6687431 0.73 TP53 (0.39) MAPTL3MBTL1NPC1ALDH1A1SMN1; SMN2
SCHEMBL7073510 0.72 TP53 (0.39) MAPTNPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8819461 0.68 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2LMNADPP4KDM4E

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-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed