SCHEMBL3970488

SCHEMBL3970488

CCOC(=O)Cc1c(C)c(Cc2sccc2[S+]([O-])c2ccc(F)cc2)n2cc(C#N)ccc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3971980 0.91 PTGDR2 (0.36)
SCHEMBL3967751 0.84 PTGDR2 (0.39) SMN1; SMN2LMNAMAPTTSHRMEN1
SCHEMBL3969346 0.83 MEN1 (0.32) SMN1; SMN2LMNAMAPTTSHRMEN1
SCHEMBL3968018 0.80 PTGDR2 (0.39) SMN1; SMN2LMNAMAPTTSHRMEN1
SCHEMBL3962109 0.77 PTGDR2 (0.39) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL3969206 0.76 SLC6A4 (0.37) MAPTMEN1KMT2A
SCHEMBL3969463 0.74 PTGDR2 (0.47) MAPTMEN1KMT2A
SCHEMBL3968452 0.74 PTGDR2 (0.46)
SCHEMBL3968252 0.73 PTGDR2 (0.38) MAPTMEN1KMT2A
SCHEMBL3967733 0.73 PTGDR2 (0.40) MEN1KMT2A

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
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed