SCHEMBL13464784

SCHEMBL13464784

CN1C(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)NC(=O)C2=C1c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
BRD4 O60885 1/20 0.34
ADORA2B P29275 3/20 0.33
GSK3B P49841 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADORA2A P29274 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
NFKB1 P19838 1/20 0.33
ADORA1 P30542 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
SCHEMBL6859504 0.88 PTGS2 (0.41) PTGS2MEN1KMT2AGSK3BALDH1A1
SCHEMBL1556973 0.84 PTGS2 (0.54) PTGS2PTPN1PTPN6PTPN11GSK3B
SCHEMBL8759244 0.83 GSK3B (0.43) PTGS2GSK3B
SCHEMBL12173264 0.77 LMNA (0.43) PTGS2MEN1KMT2APTPN1PTPN6
SCHEMBL6693898 0.76 PTGS2 (0.45) PTGS2GSK3B
SCHEMBL13883926 0.74 PTGS2 (0.44) PTGS2GSK3B
SCHEMBL18138113 0.74 APP (0.35) PTGS2MEN1KMT2AALDH1A1
SCHEMBL13592016 0.74 PTGS2 (0.34) PTGS2GSK3BMMP2MMP9
SCHEMBL13524801 0.72 KDM4E (0.35) PTGS2MEN1KMT2AL3MBTL1GSK3B
SCHEMBL7068310 0.72 PTGS2 (0.51) PTGS2MEN1HTTKMT2AL3MBTL1

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
EP-2370523-B1 FLOCCULATION RESISTANT DIKETOPYRROLOPYRROLE PIGMENT PREPARATIONS CLARIANT FINANCE BVI LTD (VG) 2012-10-17 EP disclosed