SCHEMBL9912281

SCHEMBL9912281

CC(=O)Nc1cccc(-c2cc(NCCc3ccc(O)cc3)nc(O)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.61
PTGDR Q13258 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
PLK1 P53350 1/20 0.49
FYN P06241 1/20 0.49
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
STAT1 P42224 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9912204 0.83 PTGDR (0.56) BRAFPTGDRALDH1A1SMN1; SMN2
SCHEMBL9912237 0.82 PTGDR (0.52) PTGDRALDH1A1SMN1; SMN2
SCHEMBL9912205 0.81 PTGDR (0.52) BRAFPTGDRALDH1A1SMN1; SMN2
SCHEMBL4495486 0.80 PTGDR (0.80) PTGDR
SCHEMBL13894999 0.79 ALDH1A1 (0.47) PTGDRALDH1A1SMN1; SMN2
SCHEMBL13895137 0.79 PTGDR (0.64) PTGDRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9912189 0.78 BCHE (0.47) PTGDRALDH1A1SMN1; SMN2
SCHEMBL9912276 0.77 PTGDR (0.63) PTGDRALDH1A1SMN1; SMN2
SCHEMBL9912250 0.76 PTGDR (0.85) PTGDR
SCHEMBL4497663 0.76 PTGDR (0.68) BRAFPTGDR

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
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed