SCHEMBL5507284

SCHEMBL5507284

Cc1nc2cc(C(=O)N3c4ccccc4[C@H](NC(=O)Cc4ccc(Cl)cc4)C[C@@H]3C)ccc2n1CCO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
GSK3B P49841 1/20 0.43
PPARG P37231 1/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4138840 0.82 PTGDR2 (0.63) KMT2APTGDR2LMNAMAPTSMN1; SMN2
SCHEMBL5504734 0.79 PTGDR2 (0.58) KMT2APTGDR2LMNAMAPT
SCHEMBL5513344 0.77 PTGDR2 (0.56) KMT2APTGDR2LMNAMAPT
SCHEMBL13776309 0.73 PTGDR2 (0.65) KMT2APTGDR2LMNAMAPTSMN1; SMN2
SCHEMBL5497575 0.73 PTGDR2 (0.74) KMT2APTGDR2LMNASMN1; SMN2
SCHEMBL5444441 0.71 PTGDR2 (0.52) KMT2APTGDR2LMNAMAPTSMN1; SMN2
SCHEMBL6977049 0.68 LMNA (0.76) PTGDR2LMNASMN1; SMN2
SCHEMBL6972361 0.66 LMNA (0.72) PTGDR2LMNASMN1; SMN2
SCHEMBL6972357 0.66 LMNA (0.72) PTGDR2LMNASMN1; SMN2
SCHEMBL6972352 0.66 LMNA (0.72) PTGDR2LMNASMN1; SMN2

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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP claimed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO claimed