SCHEMBL1012425

SCHEMBL1012425

CNc1ccc(Cc2nc(Cl)c(C(C)C(=O)O)c(N(C)C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
HTR2C P28335 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
PRNP P04156 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTT P42858 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL1011805 0.87 COPS5 (0.36) TBXA2RPTGDRPTGDR2MAPTSMN1; SMN2
SCHEMBL1009538 0.82 ALDH1A1 (0.39) TBXA2RPTGDRPTGDR2MAPTSMN1; SMN2
SCHEMBL1009772 0.82 NR1H4 (0.48) TBXA2RPTGDRPTGDR2MEN1KMT2A
SCHEMBL3443023 0.79 PTGDR2 (0.57) TBXA2RPTGDRPTGDR2MAPTSMN1; SMN2
SCHEMBL1924122 0.78 TBXA2R (0.38) TBXA2RPTGDRPTGDR2LMNAALDH1A1
SCHEMBL1010222 0.78 TBXA2R (0.38) TBXA2RPTGDRPTGDR2LMNAALDH1A1
SCHEMBL1009043 0.75 COPS5 (0.40) MAPTLMNAALDH1A1EGLN1L3MBTL1
SCHEMBL12569007 0.75 TBXA2R (0.45) TBXA2RPTGDRPTGDR2MAPTSMN1; SMN2
SCHEMBL1010635 0.74 POLB (0.40) SMN1; SMN2MEN1KMT2A
SCHEMBL1922623 0.74 POLB (0.40) SMN1; SMN2MEN1KMT2A

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