SCHEMBL3968063

SCHEMBL3968063

CCOC(=O)Cc1c(C)c(Cc2cccn2S(=O)(=O)c2cccc(Cl)c2)n2cc(C#N)ccc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
POLB P06746 1/20 0.33
HIF1A Q16665 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
PPME1 Q9Y570 2/20 0.33
ALDH1A1 P00352 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PTPN11 Q06124 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3967149 0.92 RAPGEF4 (0.42) PTGDR2POLBRAPGEF4PPME1ALDH1A1
SCHEMBL3964356 0.91 PTGDR2 (0.39) HTR6PTGDR2RAPGEF4PPME1
SCHEMBL3973994 0.91 PTGDR2 (0.40) HTR6PTGDR2POLBRAPGEF4PPME1
SCHEMBL3968885 0.90 PPME1 (0.37) HTR6PTGDR2POLBRAPGEF4PPME1
SCHEMBL3967602 0.87 RAPGEF4 (0.34) HTR6PTGDR2POLBRAPGEF4PPME1
SCHEMBL3967733 0.87 PTGDR2 (0.40) PTGDR2RAPGEF4PPME1ALDH1A1
SCHEMBL3964361 0.86 CYP3A4 (0.36) PTGDR2HIF1ARAPGEF4MAPT
SCHEMBL3967117 0.85 POLB (0.36) HTR6PTGDR2POLBHIF1ARAPGEF4
SCHEMBL3967784 0.84 RAPGEF4 (0.35) HTR6PTGDR2POLBRAPGEF4PPME1
SCHEMBL3970095 0.82 RAPGEF4 (0.43) HTR6PTGDR2RAPGEF4PPME1AKR1C3

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