SCHEMBL6016956

SCHEMBL6016956

CC(=O)Oc1c(Cl)nc(Cc2ccc(N)cc2)nc1N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
HTR2C P28335 1/20 0.31
CYP19A1 P11511 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL6016955 0.89 DHPS (0.42) DHPSSMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL27634980 0.88 DHPS (0.36) DHPSSMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL1652155 0.79 TBXA2R (0.51) SMN1; SMN2MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL27856649 0.78 TBXA2R (0.50) SMN1; SMN2MAPTLMNAHTTTP53
SCHEMBL27634902 0.78 POLB (0.44) SMN1; SMN2MAPTALDH1A1TP53TBXA2R
SCHEMBL3442754 0.77 PTGDR2 (0.50) DHPSSMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL6878036 0.77 PTGDR2 (0.65) TBXA2RPTGDRPTGDR2
SCHEMBL12568718 0.77 TBXA2R (0.41) DHPSSMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL27655904 0.76 TBXA2R (0.48) SMN1; SMN2MAPTLMNAHTTTBXA2R
SCHEMBL6016813 0.76 EGFR (0.46) PTGDR2

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