SCHEMBL7369532

SCHEMBL7369532

N=C(N)N(Cl)c1cncc2cc(C(=O)NC(CC(=O)O)c3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 1/20 0.45
CTSA P10619 3/20 0.43
SUCNR1 Q9BXA5 2/20 0.42
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41

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 SCHEMBL7368775 0.95 ITGB3 (0.44) ITGB3ITGA2BROCK2ROCK1CTSA
SCHEMBL6433230 0.88 ROCK2 (0.41) ITGB3ITGA2BROCK2ROCK1
SCHEMBL7370207 0.86 CASP3 (0.46) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7377943 0.81 TMPRSS15 (0.44) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7450905 0.80 CA2 (0.44) ROCK2
Hydrochloric Acid SCHEMBL7447049 0.79 CA1 (0.39) ITGB3ITGA2B
SCHEMBL7378240 0.79 CA1 (0.42) ITGB3ITGA2B
SCHEMBL6437334 0.78 ROCK2 (0.49) ROCK2
Trifluoroacetic Acid SCHEMBL7368235 0.76 CA2 (0.40) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7372144 0.76 CA1 (0.36) 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