SCHEMBL7378240

SCHEMBL7378240

N=C(N)N(Cl)c1cncc2cc(C(=O)NCCC(=O)O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ITGB3 P05106 12/20 0.41
ITGA2B P08514 12/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
EGLN2 Q96KS0 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37

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
Hydrochloric Acid SCHEMBL7447049 0.88 CA1 (0.39) CA1CA2ITGB3ITGA2BKDM4E
Trifluoroacetic Acid SCHEMBL7372144 0.84 CA1 (0.36) CA1CA2ITGB3ITGA2BKDM4E
SCHEMBL6437619 0.80 PTPRC (0.42) KDM4E
SCHEMBL7369532 0.79 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7378246 0.77 CA1 (0.42) CA1CA2ITGB3ITGA2BCSNK2A2
Trifluoroacetic Acid SCHEMBL7377943 0.77 TMPRSS15 (0.44) CA1CA2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7374048 0.75 PLAU (0.45) KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7368775 0.74 ITGB3 (0.44) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7450905 0.73 CA2 (0.44) CA1CA2
SCHEMBL6437334 0.71 ROCK2 (0.49) KDM4EALDH1A1

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 4 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
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed