SCHEMBL8002582

SCHEMBL8002582

N=C(CC(N)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
TP53 P04637 5/20 0.53
LMNA P02545 3/20 0.53
THRB P10828 2/20 0.50
POLB P06746 2/20 0.49
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL1007678 0.78 MAPT (0.56) MAPTTP53LMNATHRBPOLB
SCHEMBL1007931 0.75 SMN1; SMN2 (0.62) MAPTTP53LMNATHRBPOLB
SCHEMBL1005696 0.73 TDP1 (0.61) MAPTTP53LMNATHRBPOLB
SCHEMBL1008071 0.73 SMN1; SMN2 (0.62) MAPTTP53LMNATHRBPOLB
SCHEMBL1895484 0.73 TSHR (0.55) MAPTTP53LMNATHRBPOLB
SCHEMBL18328416 0.72 POLQ (0.60) MAPTTP53LMNAPOLBGAA
SCHEMBL18328048 0.72 POLQ (0.60) MAPTTP53LMNAPOLBGAA
SCHEMBL1007605 0.72 POLB (0.63) MAPTTP53LMNAPOLBGAA
SCHEMBL1896530 0.71 MAPT (0.69) MAPTTP53LMNATHRBPOLB
SCHEMBL8000956 0.71 MAPT (0.41) MAPTTP53LMNATHRBPOLB

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-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed