SCHEMBL7651100

SCHEMBL7651100

CCOC(=O)CC(NC(=O)CN1CCN(c2ccc(/C(N)=N\O)cc2)CC1=O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
ALDH1A1 P00352 4/20 0.34
ATM Q13315 1/20 0.34
F2 P00734 6/20 0.34
F10 P00742 6/20 0.34
METAP1 P53582 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 3/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A4 P31645 1/20 0.32

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
SCHEMBL7651103 1.00 ITGB3 (0.36) ITGB3ITGA2BALDH1A1ATMF2
SCHEMBL7662828 0.91 F10 (0.36) F2F10
SCHEMBL7662823 0.91 F10 (0.36) F2F10
Acetic Acid SCHEMBL7665575 0.89 ITGB3 (0.38) ITGB3ITGA2BF2F10METAP1
SCHEMBL7653182 0.83 ITGB3 (0.42) ITGB3ITGA2BALDH1A1F2MAPT
SCHEMBL7653188 0.83 ITGB3 (0.42) ITGB3ITGA2BALDH1A1F2MAPT
SCHEMBL7660317 0.82 ITGB3 (0.40) ITGB3ITGA2BALDH1A1F2MAPT
SCHEMBL7660308 0.82 ITGB3 (0.40) ITGB3ITGA2BALDH1A1F2MAPT
SCHEMBL7662931 0.81 ITGB3 (0.41) ITGB3ITGA2BALDH1A1F2MAPT
SCHEMBL7662938 0.81 ITGB3 (0.41) ITGB3ITGA2BALDH1A1F2MAPT

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
US-6344456-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-02-05 US disclosed