SCHEMBL1009772

SCHEMBL1009772

CC(C(=O)O)c1c(Cl)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.48
PTGDR2 Q9Y5Y4 11/20 0.47
TBXA2R P21731 1/20 0.47
PTGDR Q13258 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
DGAT1 O75907 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
DEGS1 O15121 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GPR27 Q9NS67 1/20 0.42

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
SCHEMBL1010965 0.92 NR1H4 (0.55) NR1H4PTGDR2KMT2AMEN1DGAT1
SCHEMBL1010317 0.84 PTGDR2 (0.62) NR1H4PTGDR2TBXA2RPTGDRKMT2A
SCHEMBL1010750 0.84 NR1H4 (0.50) NR1H4PTGDR2TBXA2RPTGDRKMT2A
SCHEMBL1010832 0.83 RAB9A (0.51) NR1H4PTGDR2TBXA2RPTGDRKMT2A
SCHEMBL1009893 0.83 RAB9A (0.51) NR1H4PTGDR2KMT2AMEN1DGAT1
SCHEMBL1012425 0.82 TBXA2R (0.41) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL1010285 0.81 PTGDR2 (0.52) NR1H4PTGDR2TBXA2RPTGDRKMT2A
SCHEMBL2007440 0.81 NR1H4 (0.54) NR1H4PTGDR2TBXA2RPTGDRKMT2A
SCHEMBL1009353 0.81 PTGDR2 (0.49) NR1H4PTGDR2TBXA2RPTGDRKMT2A
SCHEMBL12568725 0.81 PTGDR2 (0.51) NR1H4PTGDR2TBXA2RPTGDRKMT2A

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
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP disclosed