SCHEMBL1010222

SCHEMBL1010222

CC(C(=O)O)c1c(N(C)C)nc(Cc2ccc(N)cc2)nc1N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
COPS5 Q92905 1/20 0.36
HTR2C P28335 1/20 0.36
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
AKR1C3 P42330 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
TSHR P16473 2/20 0.34
AKR1C2 P52895 2/20 0.34
ITGB1 P05556 2/20 0.34
ITGA5 P08648 2/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34

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
SCHEMBL1924122 1.00 TBXA2R (0.38) TBXA2RPTGDRPTGDR2COPS5HTR2C
SCHEMBL1011805 0.92 COPS5 (0.36) TBXA2RPTGDRPTGDR2COPS5HTR2C
SCHEMBL1009771 0.84 CPB2 (0.36) TBXA2RPTGDRPTGDR2COPS5PTGS1
SCHEMBL1010635 0.83 POLB (0.40) ENPP1
SCHEMBL1922623 0.83 POLB (0.40) ENPP1
SCHEMBL1009043 0.81 COPS5 (0.40) COPS5PTGS1PTGS2AKR1C3LMNA
SCHEMBL2787854 0.78 TBXA2R (0.57) TBXA2RPTGDRPTGDR2COPS5HTR2C
SCHEMBL3443468 0.78 TBXA2R (0.57) TBXA2RPTGDRPTGDR2COPS5HTR2C
SCHEMBL1012425 0.78 TBXA2R (0.41) TBXA2RPTGDRPTGDR2HTR2CPTGS1
SCHEMBL1010909 0.76 CYP2C19 (0.38) CYP2C9

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