SCHEMBL6557388

SCHEMBL6557388

CCNc1cnn(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
HRH4 Q9H3N8 1/20 0.34
TK2 O00142 8/20 0.33
SLC6A1 P30531 3/20 0.33
TK1 P04183 1/20 0.33
TSHR P16473 1/20 0.33
TYMP P19971 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.31
KAT2B Q92831 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
SLC6A11 P48066 1/20 0.31

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
SCHEMBL5148562 0.77 KIF11 (0.51) KIF11HRH4TK2SLC6A1TK1
SCHEMBL5150423 0.76 KIF11 (0.43) KIF11HRH4SLC6A1
SCHEMBL5151844 0.76 KIF11 (0.54) KIF11HRH4TK2SLC6A1TK1
SCHEMBL5147531 0.75 KIF11 (0.42) KIF11HRH4TK2SLC6A1TK1
SCHEMBL5148643 0.74 KIF11 (0.51) KIF11HRH4TK2SLC6A1TK1
SCHEMBL5147565 0.73 KIF11 (0.40) KIF11HRH4TK2SLC6A1TK1
SCHEMBL5150384 0.71 KIF11 (0.38) KIF11HRH4SLC6A1
SCHEMBL5150392 0.71 KIF11 (0.38) KIF11HRH4SLC6A1
SCHEMBL5151740 0.70 NQO2 (0.39) KIF11TSHR
SCHEMBL5150660 0.69 KIF11 (0.36) KIF11HRH4TK2SLC6A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed