SCHEMBL6016813

SCHEMBL6016813

CC(=O)Oc1c(Cl)nc(Cc2ccc(NC(=O)/C=C/c3ccccc3)cc2)nc1N(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.46
MMP1 P03956 6/20 0.46
MMP2 P08253 6/20 0.46
MMP9 P14780 6/20 0.46
ACHE P22303 5/20 0.45
BCHE P06276 3/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
MCHR1 Q99705 1/20 0.43
RAB9A P51151 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
DEGS1 O15121 1/20 0.42
TOP2A P11388 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
SCHEMBL1652115 0.84 PTGDR2 (0.54) EGFRMMP1MMP2MMP9ACHE
SCHEMBL1652116 0.84 PTGDR2 (0.54) EGFRMMP1MMP2MMP9ACHE
SCHEMBL1652753 0.83 MAPT (0.48) EGFRMMP1MMP2MMP9ACHE
SCHEMBL1012128 0.80 PTGDR2 (0.58) EGFRMMP1MMP2MMP9ACHE
SCHEMBL1009825 0.80 PTGDR2 (0.58) EGFRMMP1MMP2MMP9ACHE
SCHEMBL6886098 0.78 MAPT (0.46) EGFRMMP1MMP2MMP9ACHE
SCHEMBL1652155 0.78 TBXA2R (0.51) RAB9APTGDR2
SCHEMBL2008263 0.78 PTGDR2 (0.56) EGFRMMP1MMP2MMP9ACHE
SCHEMBL2008264 0.78 PTGDR2 (0.56) EGFRMMP1MMP2MMP9ACHE
SCHEMBL1009325 0.77 PTGDR2 (0.57) EGFRMMP1MMP2MMP9ACHE

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-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP disclosed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed