SCHEMBL3967048

SCHEMBL3967048

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 7/20 0.43
HTR6 P50406 5/20 0.41
ALDH1A1 P00352 1/20 0.40
NOD1 Q9Y239 1/20 0.40
APEH P13798 1/20 0.39
KIF11 P52732 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
KDM4E B2RXH2 1/20 0.37
UBE2N P61088 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
SCHEMBL3968075 0.83 PPME1 (0.55) PPME1HTR6APEHRAPGEF4
SCHEMBL3969097 0.81 NOD1 (0.43) PPME1HTR6NOD1APEHRAPGEF4
SCHEMBL1616366 0.80 PPME1 (0.60) PPME1HTR6ALDH1A1APEH
SCHEMBL3964674 0.80 PPME1 (0.58) PPME1ALDH1A1APEHRAPGEF4
SCHEMBL2457308 0.80 RAPGEF4 (0.58) PPME1ALDH1A1NOD1APEHRAPGEF4
SCHEMBL3964676 0.76 PPME1 (0.45) PPME1HTR6NOD1APEHCYP2D6
SCHEMBL15173806 0.75 RAPGEF4 (0.68) HTR6ALDH1A1NOD1KIF11RAPGEF4
SCHEMBL2464163 0.74 TRIM24 (0.42) PPME1ALDH1A1APEH
SCHEMBL4001880 0.72 ATM (0.65) ALDH1A1
SCHEMBL2181734 0.72 CA1 (0.58) HTR6ALDH1A1NOD1KIF11HSD11B1

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 2 patents. 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
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed