SCHEMBL6281754

SCHEMBL6281754

COc1ccc(C(=O)N2c3ccccc3C(NC(=O)c3cccs3)CC2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.56
P2RY1 P47900 2/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL6278439 0.84 PTGDR2 (0.55) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL27641494 0.79 PTGDR2 (0.69) PTGDR2LMNASMN1; SMN2
SCHEMBL4128277 0.78 PTGDR2 (0.74) PTGDR2MEN1KMT2A
SCHEMBL4128021 0.78 LMNA (0.77) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL5504172 0.77 PTGDR2 (0.56) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL4123301 0.77 PTGDR2 (0.59) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL4123305 0.77 PTGDR2 (0.59) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL5503246 0.77 PTGDR2 (0.59) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL4127033 0.77 PTGDR2 (0.56) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL4123938 0.77 PTGDR2 (0.63) PTGDR2LMNASMN1; 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
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed