SCHEMBL1652155

SCHEMBL1652155

CC(=O)Oc1c(Cl)nc(Cc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)nc1N(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.51
PTGDR Q13258 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
ALDH1A1 P00352 7/20 0.43
MAPT P10636 7/20 0.43
MCL1 Q07820 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
RAB9A P51151 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.43
NAMPT P43490 1/20 0.43
MAPK1 P28482 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TNF P01375 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NOD2 Q9HC29 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
SCHEMBL27856649 0.91 TBXA2R (0.50) TBXA2RPTGDRPTGDR2MAPTKDM4E
SCHEMBL6878036 0.90 PTGDR2 (0.65) TBXA2RPTGDRPTGDR2
SCHEMBL27655904 0.87 TBXA2R (0.48) TBXA2RPTGDRPTGDR2MAPTKDM4E
SCHEMBL525025 0.82 TBXA2R (0.71) TBXA2RPTGDRPTGDR2RAB9ANPC1
SCHEMBL1652154 0.82 PTGDR2 (0.69) TBXA2RPTGDRPTGDR2ALDH1A1MAPT
SCHEMBL1651004 0.79 TBXA2R (0.48) TBXA2RPTGDRPTGDR2ALDH1A1MAPT
SCHEMBL27634902 0.79 POLB (0.44) TBXA2RPTGDRPTGDR2ALDH1A1MAPT
SCHEMBL6016956 0.79 DHPS (0.37) TBXA2RPTGDRPTGDR2ALDH1A1MAPT
SCHEMBL27634905 0.79 PTGDR2 (0.65) TBXA2RPTGDRPTGDR2
SCHEMBL1652081 0.78 GLA (0.43) TBXA2RPTGDRPTGDR2RAB9ALMNA

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
JP-4671955-B2 2011-04-20 JP claimed
JP-2006524645-A 2006-11-02 JP claimed
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP claimed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed