SCHEMBL3969097

SCHEMBL3969097

O=Cc1cccn1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.43
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP3 P08254 1/20 0.42
MMP13 P45452 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTR6 P50406 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
PPME1 Q9Y570 6/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
PGR P06401 1/20 0.37
APEH P13798 1/20 0.37

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
SCHEMBL3967048 0.81 PPME1 (0.43) NOD1HTR6RAPGEF4PPME1APEH
SCHEMBL3968075 0.79 PPME1 (0.55) MMP2MEN1KMT2AHTR6RAPGEF4
SCHEMBL1616366 0.77 PPME1 (0.60) MEN1KMT2AHTR6PPME1APEH
SCHEMBL3964674 0.76 PPME1 (0.58) MMP2KMT2ARAPGEF4PPME1ACHE
SCHEMBL2457308 0.76 RAPGEF4 (0.58) NOD1MMP2RAPGEF4PPME1ACHE
SCHEMBL1418969 0.74 ALDH1A1 (0.65) MEN1KMT2A
SCHEMBL29072217 0.73 KDM4E (0.67) NOD1MEN1KMT2AHTR6
SCHEMBL3964676 0.72 PPME1 (0.45) NOD1HTR6RAPGEF4PPME1APEH
SCHEMBL28469213 0.71 EPHX2 (0.48) MMP2MMP9MMP3MMP13
SCHEMBL1156469 0.71 MEN1 (0.41) NOD1MMP2MMP9MEN1KMT2A

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