SCHEMBL9254859

SCHEMBL9254859

Cn1c(-c2ccc(C(=N)N)cc2)nc2c(O)nc(C(=O)NCCC(=O)O)nc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.42
ITGA2B P08514 18/20 0.42
ITGB2 P05107 2/20 0.40
ITGAM P11215 2/20 0.40
ITGAV P06756 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL9571132 0.92 ITGB3 (0.36) ITGB3ITGA2BITGB2ITGAMITGAV
SCHEMBL9255479 0.91 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAMITGAV
SCHEMBL9255713 0.90 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAMITGAV
SCHEMBL9247579 0.89 ITGB3 (0.40) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9251108 0.89 ITGB3 (0.40) ITGB3ITGA2BITGB2ITGAMITGAV
SCHEMBL9255921 0.86 ITGB3 (0.40) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9245396 0.85 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAMF10
SCHEMBL9254738 0.83 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9254835 0.82 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9252066 0.82 TMPRSS15 (0.36) ITGB3ITGA2BITGAVF10

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed