SCHEMBL6861919

SCHEMBL6861919

COc1ccc(Cl)cc1C(=O)NCn1nc(C(F)(F)F)c2c1OCCC2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 3/20 0.46
TSHR P16473 4/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD2 P14416 1/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41

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 0.81 TP53 (0.76) MAPTTP53POLBLMNATSHR
SCHEMBL6860844 0.70 CYP2C19 (0.43) MAPTTP53POLBLMNASMN1; SMN2
SCHEMBL6862770 0.68 SMN1; SMN2 (0.39) MAPTTP53POLBLMNATSHR
SCHEMBL15485025 0.68 LMNA (0.63) MAPTTP53POLBLMNATSHR
SCHEMBL6860475 0.67 LMNA (0.44) MAPTTP53POLBLMNATSHR
SCHEMBL6861396 0.67 MAPT (0.54) MAPTTP53POLBLMNATSHR
SCHEMBL15492960 0.67 TRPM2 (0.47) MAPTPOLBLMNATSHRSMN1; SMN2
SCHEMBL6861342 0.66 GRIA2 (0.54) MAPTTP53POLBLMNATSHR
SCHEMBL1006583 0.66 MAPT (0.81) MAPTTP53POLBLMNATSHR
SCHEMBL13753903 0.66 LMNA (1.00) MAPTLMNATSHRRECQLMEN1

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