SCHEMBL7359473

SCHEMBL7359473

CCC1C(=O)NC1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 3/20 0.50
MAPK1 P28482 1/20 0.50
ADORA3 P0DMS8 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8993492 0.83 MEN1 (0.59) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL13798670 0.75 SMN1; SMN2 (0.49) KMT2AMEN1LMNASMN1; SMN2ADORA3
SCHEMBL7358888 0.75 SMN1; SMN2 (0.49) KMT2AMEN1LMNASMN1; SMN2ADORA3
SCHEMBL9446608 0.74 MEN1 (0.45) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL12463067 0.74 SMN1; SMN2 (0.48) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL17030297 0.72 MEN1 (0.42) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL2112085 0.71 SMN1; SMN2 (0.45) KMT2AMEN1SMN1; SMN2GAATDP1
SCHEMBL2112084 0.71 SMN1; SMN2 (0.45) KMT2AMEN1SMN1; SMN2GAATDP1
SCHEMBL22721829 0.71 MEN1 (0.58) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL5521516 0.71 SMN1; SMN2 (0.45) KMT2AMEN1SMN1; SMN2GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed
WO-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 WO disclosed