SCHEMBL7056151

SCHEMBL7056151

COC(=O)c1ccnn1C[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
KLKB1 P03952 1/20 0.48
ELANE P08246 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT1 P17948 2/20 0.37
KDR P35968 2/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL7056155 0.86 F2 (0.48) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL24937400 0.86 L3MBTL1 (0.56) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL31460083 0.84 F2 (0.47) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL20660787 0.83 F2 (0.46) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL30829495 0.83 F2 (0.46) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL24875516 0.81 F2 (0.44) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL20156357 0.80 MAPK1 (0.44) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL21626155 0.80 F2 (0.43) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL796641 0.80 F2 (0.43) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL15898282 0.80 F2 (0.43) F2PLAUKLKB1ELANEL3MBTL1

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP claimed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed