SCHEMBL1010248

SCHEMBL1010248

Cc1nc(Cc2ccc([N+](=O)[O-])cc2)nc(N2CCCC2)c1C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
GAA P10253 1/20 0.38
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
RAB9A P51151 1/20 0.37
SLC29A1 Q99808 1/20 0.37
OPRK1 P41145 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
RHOA P61586 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL1010138 0.85 CHRM3 (0.40) CASP1CHRM3PDE4APDE4BPDE4C
SCHEMBL1010021 0.82 RAB9A (0.42) GAARAB9APOLBMAPTLMNA
SCHEMBL3443799 0.82 PTGDR2 (0.42) CASP1CASP4CASP5GAACHRM3
SCHEMBL1010960 0.81 ACE (0.41) GAARAB9APOLBMAPTLMNA
SCHEMBL12569068 0.77 SIGMAR1 (0.38) CASP1CASP4CASP5GAACHRM3
SCHEMBL1066125 0.77 POLB (0.42) RAB9APOLBMAPTLMNAALDH1A1
SCHEMBL1922216 0.77 POLB (0.42) RAB9APOLBMAPTLMNAALDH1A1
SCHEMBL1923117 0.76 ACE (0.42) RAB9APOLBMAPTLMNAALDH1A1
SCHEMBL1009458 0.76 ACE (0.42) RAB9APOLBMAPTLMNAALDH1A1
SCHEMBL1010635 0.74 POLB (0.40) POLB

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