SCHEMBL1007946

SCHEMBL1007946

CNC(=O)CN1CCc2c(c(C(F)(F)F)nn2CC(=O)Nc2cc(Cl)ccc2OC)C1

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 4/20 0.73
TSHR P16473 3/20 0.56
GAA P10253 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 4/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
THRB P10828 1/20 0.49
KCNT1 Q5JUK3 1/20 0.47

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
SCHEMBL1005497 0.94 MAPT (0.73) MAPTTP53POLBTSHRGAA
SCHEMBL1007923 0.93 MAPT (0.74) MAPTTP53POLBTSHRGAA
SCHEMBL1062417 0.92 MAPT (0.73) MAPTTP53POLBTSHRGAA
SCHEMBL12674202 0.91 MAPT (0.60) MAPTTP53POLBTSHRGAA
SCHEMBL1008381 0.91 MAPT (0.71) MAPTTP53POLBTSHRGAA
SCHEMBL1008098 0.90 MAPT (0.73) MAPTTP53POLBTSHRGAA
SCHEMBL8004294 0.90 MAPT (0.70) MAPTTP53POLBTSHRGAA
SCHEMBL1009574 0.89 MAPT (0.71) MAPTTP53POLBTSHRGAA
SCHEMBL1006830 0.89 MAPT (0.71) MAPTTP53POLBTSHRGAA
SCHEMBL1007887 0.89 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