SCHEMBL1010809

SCHEMBL1010809

CC(=O)Oc1c(C)nc(Cc2ccc(NC(=O)OCc3ccc(F)cc3)cc2)nc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.40
TBXA2R P21731 2/20 0.40
PTGDR Q13258 1/20 0.40
AKT3 Q9Y243 1/20 0.38
NAMPT P43490 1/20 0.38
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
MGLL Q99685 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.35
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35

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
SCHEMBL27634902 0.82 POLB (0.44) SMN1; SMN2PTGDR2TBXA2RPTGDRPOLB
SCHEMBL1010059 0.77 MEN1 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL8739208 0.76 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRPOLB
SCHEMBL1010810 0.76 MEN1 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL1011783 0.76 KMT2A (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL27634906 0.76 POLB (0.45) SMN1; SMN2PTGDR2NAMPTMGLLPOLB
SCHEMBL1010339 0.75 NR1H4 (0.48) MEN1KMT2APTGDR2TBXA2RPTGDR
SCHEMBL5961340 0.75 MEN1 (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL1010718 0.73 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRPOLB
SCHEMBL525025 0.72 TBXA2R (0.71) PTGDR2TBXA2RPTGDRHIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP disclosed