SCHEMBL6861396

SCHEMBL6861396

COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1OCCC2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
TP53 P04637 5/20 0.54
POLB P06746 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
TSHR P16473 3/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CTSD P07339 1/20 0.40

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
SCHEMBL6862518 0.83 TP53 (0.76) MAPTTP53POLBSMN1; SMN2TSHR
SCHEMBL6863588 0.73 MAPT (0.55) MAPTTP53SMN1; SMN2LMNAKMT2A
SCHEMBL1894452 0.71 MAPT (0.81) MAPTTP53POLBSMN1; SMN2TSHR
SCHEMBL1008549 0.71 MAPT (0.81) MAPTTP53POLBSMN1; SMN2TSHR
SCHEMBL1892373 0.70 MAPT (0.79) MAPTTP53POLBSMN1; SMN2TSHR
SCHEMBL1006960 0.69 MAPT (0.77) MAPTTP53POLBSMN1; SMN2TSHR
SCHEMBL1894639 0.69 TSHR (0.78) MAPTTP53POLBSMN1; SMN2TSHR
SCHEMBL15491619 0.68 LMNA (0.48) MAPTTP53SMN1; SMN2TSHRGAA
SCHEMBL1897157 0.68 MAPT (0.75) MAPTTP53POLBSMN1; SMN2TSHR
SCHEMBL1890276 0.68 TP53 (0.93) MAPTTP53POLBSMN1; SMN2TSHR

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-2011036889-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2011-03-31 WO disclosed