SCHEMBL3963643

SCHEMBL3963643

CCOC(=O)Cc1c(C)c(Cc2cccn2S(=O)(=O)c2ccccc2)c2cc(C#N)ccn12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
RAPGEF4 Q8WZA2 5/20 0.34
HTR6 P50406 2/20 0.34
PPME1 Q9Y570 4/20 0.33
APEH P13798 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3967967 0.91 PTGDR2 (0.36) PTGDR2RAPGEF4PPME1POLB
SCHEMBL3968540 0.91 PTGDR2 (0.47) PTGDR2RAPGEF4HTR6PPME1APEH
SCHEMBL3968600 0.82 PTGDR2 (0.41) PTGDR2RAPGEF4HTR6PPME1
SCHEMBL3973994 0.82 PTGDR2 (0.40) PTGDR2RAPGEF4HTR6PPME1APEH
SCHEMBL4636239 0.79 PTGDR2 (0.35) PTGDR2ALDH1A1
SCHEMBL3968885 0.77 PPME1 (0.37) PTGDR2RAPGEF4HTR6PPME1ALDH1A1
SCHEMBL3332006 0.76 MAPK1 (0.43) L3MBTL1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL4636111 0.76 MAPT (0.38) L3MBTL1MEN1ALDH1A1POLBMAPK1
SCHEMBL3967733 0.75 PTGDR2 (0.40) PTGDR2RAPGEF4PPME1MEN1ALDH1A1
SCHEMBL3967149 0.75 RAPGEF4 (0.42) PTGDR2RAPGEF4PPME1L3MBTL1ALDH1A1

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-2009044134-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed