SCHEMBL7175153

SCHEMBL7175153

Cc1ccc(S(=O)(=O)NC(=O)c2ccc3ncn(Cc4ncc(NC(=O)OC(C)(C)C)cc4Cl)c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
PTGS1 P23219 1/20 0.38
CDK9 P50750 1/20 0.35
RORC P51449 7/20 0.35
ALKBH2 Q6NS38 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
FTO Q9C0B1 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
BCL2 P10415 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33

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
SCHEMBL6493836 0.88 PTGS2 (0.38) PTGS2PTGS1RORCALKBH2ALKBH5
SCHEMBL7170792 0.81 RORC (0.42) RORCALKBH2ALKBH3FTOFLT1
SCHEMBL6501193 0.79 ALDH1A1 (0.40) PTGS2PTGS1ALKBH2ALKBH5ALKBH3
SCHEMBL6492195 0.78 PTGS2 (0.38) PTGS2PTGS1RORCALKBH2ALKBH5
SCHEMBL7065650 0.78 ALDH1A1 (0.39) PTGS2PTGS1ALKBH2ALKBH5ALKBH3
SCHEMBL6492586 0.74 PPARG (0.44) RORC
SCHEMBL6498241 0.73 SCN9A (0.33) RORCEGFR
SCHEMBL6498248 0.73 SCN9A (0.33) RORCEGFR
SCHEMBL6490770 0.72 P2RX3 (0.39) KMT2A
SCHEMBL6490070 0.72 PTGS2 (0.44) PTGS2PTGS1ALKBH2ALKBH5ALKBH3

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
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US claimed