SCHEMBL1004983

SCHEMBL1004983

COc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CN(S(C)(=O)=O)CC2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
TP53 P04637 6/20 0.73
POLB P06746 3/20 0.73
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 3/20 0.50
THRB P10828 1/20 0.49
KCNT1 Q5JUK3 2/20 0.49

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
SCHEMBL1007632 0.94 MAPT (0.73) MAPTTP53POLBTSHRGAA
SCHEMBL1007254 0.88 MAPT (0.78) MAPTTP53POLBTSHRGAA
SCHEMBL1008105 0.87 MAPT (0.75) MAPTTP53POLBTSHRGAA
SCHEMBL1009737 0.87 MAPT (0.75) MAPTTP53POLBTSHRGAA
SCHEMBL1008099 0.86 MAPT (0.74) MAPTTP53POLBTSHRGAA
SCHEMBL1007803 0.86 MAPT (0.74) MAPTTP53POLBTSHRGAA
SCHEMBL1009739 0.86 MAPT (0.74) MAPTTP53POLBTSHRGAA
SCHEMBL1006348 0.85 MAPT (0.73) MAPTTP53POLBTSHRGAA
SCHEMBL1009151 0.85 MAPT (0.73) MAPTTP53POLBTSHRGAA
SCHEMBL1061592 0.85 MAPT (0.73) MAPTTP53POLBTSHRGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed