SCHEMBL1996566

SCHEMBL1996566

CC(=O)Oc1ccc(Br)cc1C(=O)c1cnn(-c2c(Cl)cccc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.53
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CFD P00746 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1990891 0.85 PTGDR2 (0.52) PTGDR2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1990890 0.85 PTGDR2 (0.52) PTGDR2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1992159 0.85 PTGDR2 (0.75) PTGDR2RAB9ASMN1; SMN2
SCHEMBL5315714 0.83 PTGDR2 (0.75) PTGDR2NPC1MAPTRAB9A
SCHEMBL1997245 0.81 PTGDR2 (0.69) PTGDR2NPC1RAB9A
SCHEMBL1996077 0.77 PTGDR2 (0.53) PTGDR2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1997071 0.76 PTGDR2 (0.76) PTGDR2
SCHEMBL1993265 0.76 PTGDR2 (0.77) PTGDR2
SCHEMBL1997428 0.74 PTGDR2 (0.75) PTGDR2NPC1RAB9A
SCHEMBL12159870 0.74 PTGDR2 (0.57) PTGDR2MEN1KMT2AMAPTRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed