SCHEMBL6016955

SCHEMBL6016955

CC(=O)Oc1c(Cl)nc(Cc2ccc(N)cc2)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
PRNP P04156 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
CFD P00746 1/20 0.33
COPS5 Q92905 1/20 0.33

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
SCHEMBL6016956 0.89 DHPS (0.37) DHPSNPSR1SMN1; SMN2KDM4EHPGD
SCHEMBL27634958 0.86 DHPS (0.41) DHPSNPSR1SMN1; SMN2KDM4EHPGD
SCHEMBL2791412 0.81 CYP2C19 (0.43) SMN1; SMN2KDM4ELMNATSHRALDH1A1
SCHEMBL27634980 0.76 DHPS (0.36) DHPSNPSR1SMN1; SMN2KDM4EHPGD
SCHEMBL12568934 0.75 NPSR1 (0.45) DHPSNPSR1SMN1; SMN2KDM4EHPGD
SCHEMBL4333030 0.75 KMT2A (0.34) NPSR1SMN1; SMN2KDM4EHPGDRXFP1
SCHEMBL3443252 0.74 NPSR1 (0.40) DHPSNPSR1SMN1; SMN2KDM4EHPGD
SCHEMBL1009043 0.73 COPS5 (0.40) DHPSNPSR1LMNATSHRALDH1A1
SCHEMBL12568718 0.69 TBXA2R (0.41) DHPSNPSR1SMN1; SMN2KDM4EHPGD
SCHEMBL3442754 0.69 PTGDR2 (0.50) DHPSNPSR1SMN1; SMN2KDM4EHPGD

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