SCHEMBL7369537

SCHEMBL7369537

N=C(N)Nc1ncc(Cl)c2ccc(C(=O)NC(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.46
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
SUCNR1 Q9BXA5 2/20 0.43

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
Trifluoroacetic Acid SCHEMBL6434862 0.95 CTSA (0.42) CTSAITGB3ITGA2BROCK2ROCK1
SCHEMBL6433233 0.88 ROCK2 (0.41) ITGB3ITGA2BROCK2ROCK1
SCHEMBL7370211 0.85 CA2 (0.51) ITGB3ITGA2B
SCHEMBL7394132 0.85 ROCK2 (0.49) CTSAROCK2ROCK1SUCNR1
Trifluoroacetic Acid SCHEMBL6434983 0.80 CA2 (0.46) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL6434979 0.80 CA2 (0.46) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL6432685 0.79 CA2 (0.49)
Trifluoroacetic Acid SCHEMBL6432682 0.79 CA2 (0.49)
Hydrochloric Acid SCHEMBL7447057 0.79 CA1 (0.46) ITGB3ITGA2B
SCHEMBL6436503 0.78 CA1 (0.48) ITGB3ITGA2B

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-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed