SCHEMBL3967733

SCHEMBL3967733

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.40
RAPGEF4 Q8WZA2 3/20 0.35
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPME1 Q9Y570 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
PTGS2 P35354 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 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) PTGDR2RAPGEF4PPME1ALDH1A1
SCHEMBL3973994 0.93 PTGDR2 (0.40) PTGDR2RAPGEF4PPME1MEN1KMT2A
SCHEMBL3967149 0.92 RAPGEF4 (0.42) PTGDR2RAPGEF4NOD2NOD1PPME1
SCHEMBL3967117 0.92 POLB (0.36) PTGDR2RAPGEF4PPME1
SCHEMBL3967602 0.91 RAPGEF4 (0.34) PTGDR2RAPGEF4PPME1
SCHEMBL3974788 0.90 PTGDR2 (0.46) PTGDR2RAPGEF4PPME1
SCHEMBL3967784 0.90 RAPGEF4 (0.35) PTGDR2RAPGEF4PPME1MEN1KMT2A
SCHEMBL3968063 0.87 HTR6 (0.34) PTGDR2RAPGEF4PPME1ALDH1A1
SCHEMBL3970978 0.87 PTGDR2 (0.49) PTGDR2RAPGEF4NOD2NOD1NPSR1
SCHEMBL3964361 0.85 CYP3A4 (0.36) PTGDR2RAPGEF4

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