SCHEMBL7544637

SCHEMBL7544637

C#CC(NC(=O)CCC(=O)Nc1ccc(C=NN)cc1)C(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.42
ITGA2B P08514 6/20 0.42
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LTA4H P09960 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA4 P22748 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7346619 0.86 ITGB3 (0.41) ITGB3ITGA2BPOLBMAPTHPGD
SCHEMBL9440466 0.83 ITGB3 (0.41) ITGB3ITGA2BPOLBMAPTHPGD
SCHEMBL7353190 0.82 POLB (0.42) ITGB3ITGA2BPOLBMAPTHPGD
SCHEMBL8897705 0.81 ITGB3 (0.43) ITGB3ITGA2BPOLBMAPTHPGD
SCHEMBL7544610 0.81 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7862736 0.81 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL5165511 0.79 ITGB3 (0.65) ITGB3ITGA2BPOLBMAPTHPGD
SCHEMBL7352610 0.79 ITGB3 (0.65) ITGB3ITGA2BPOLBMAPTHPGD
SCHEMBL7423126 0.79 POLB (0.45) ITGB3ITGA2BPOLBMAPTHPGD
SCHEMBL7344666 0.78 ITGB3 (0.47) ITGB3ITGA2BPOLBMAPTHPGD

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-1997035579-A1 A METHOD FOR INHIBITING CLOT FORMATION MERCK & CO., INC. (US) 1997-10-02 WO claimed