SCHEMBL3968018

SCHEMBL3968018

CCOC(=O)Cc1c(C)c(Cc2ccsc2S(=O)(=O)c2ccc(F)cc2)n2cc(C#N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
PTGS2 P35354 1/20 0.33
PTGDR Q13258 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
SLC34A1 Q06495 1/20 0.30

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
SCHEMBL3971882 0.90 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL3967751 0.88 PTGDR2 (0.39) PTGDR2MEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL3962109 0.87 PTGDR2 (0.39) PTGDR2MEN1KMT2APTGS2GAA
SCHEMBL3969463 0.86 PTGDR2 (0.47) PTGDR2MEN1KMT2APTGS2MAPT
SCHEMBL3962084 0.85 PTGDR2 (0.39) PTGDR2MEN1KMT2APTGS2GAA
SCHEMBL3968970 0.84 PTGDR2 (0.46) PTGDR2MEN1KMT2APTGS2GAA
SCHEMBL3968252 0.82 PTGDR2 (0.38) PTGDR2MEN1KMT2APTGS2GAA
SCHEMBL3972653 0.82 PTGDR2 (0.42) PTGDR2MEN1KMT2APTGS2GAA
SCHEMBL3962099 0.81 PTGDR2 (0.40) PTGDR2PTGS2GAAMAPTNPSR1
SCHEMBL3970488 0.80 SMN1; SMN2 (0.32) MEN1KMT2ASMN1; SMN2LMNAMAPT

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