SCHEMBL3967149

SCHEMBL3967149

CCOC(=O)Cc1c(C)c(Cc2cccn2S(=O)(=O)c2ccc(Cl)cc2)n2cc(C#N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.42
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PPME1 Q9Y570 2/20 0.35
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
KMT2A Q03164 1/20 0.33
SLC2A2 P11168 1/20 0.33
PTGS2 P35354 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR Q13258 1/20 0.32

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
SCHEMBL3968885 0.95 PPME1 (0.37) RAPGEF4AKR1C3AKR1C2PPME1ALDH1A1
SCHEMBL3973994 0.93 PTGDR2 (0.40) RAPGEF4PPME1ALDH1A1POLBPTGDR2
SCHEMBL3967602 0.92 RAPGEF4 (0.34) RAPGEF4PPME1POLBPTGDR2
SCHEMBL3967733 0.92 PTGDR2 (0.40) RAPGEF4PPME1NOD2NOD1ALDH1A1
SCHEMBL3968063 0.92 HTR6 (0.34) RAPGEF4AKR1C3AKR1C2PPME1ALDH1A1
SCHEMBL3970095 0.90 RAPGEF4 (0.43) RAPGEF4AKR1C3AKR1C2PPME1PTGDR2
SCHEMBL3967117 0.90 POLB (0.36) RAPGEF4PPME1POLBPTGDR2
SCHEMBL3967784 0.89 RAPGEF4 (0.35) RAPGEF4AKR1C3AKR1C2PPME1POLB
SCHEMBL3964361 0.88 CYP3A4 (0.36) RAPGEF4PTGDR2
SCHEMBL3968730 0.85 PTGDR2 (0.42) RAPGEF4PPME1PTGDR2PTGDR

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