SCHEMBL13450400

SCHEMBL13450400

Cc1cc(C)nc(-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.52
▸ PTGS1 P23219 5/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.47
▸ SDHB P21912 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL13451114 0.83 PTGS2 (0.48) PTGS2PTGS1HDAC6SDHBKDM4E
SCHEMBL3152021 0.83 PTGS2 (0.48) PTGS2PTGS1HDAC6SDHBKDM4E
SCHEMBL1357752 0.80 PTGS2 (0.67) PTGS2PTGS1HDAC6HSP90AA1
SCHEMBL22651236 0.79 KDM4E (0.55) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19243065 0.77 THRB (0.54) PTGS2HDAC6
SCHEMBL3166344 0.76 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL14002197 0.74 PTGS1 (0.50) PTGS2PTGS1SDHB
SCHEMBL17306380 0.74 MAPT (0.48) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3848271 0.74 KMT2A (0.53) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3161223 0.73 PTGS2 (0.65) PTGS2PTGS1KDM4EALDH1A1

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-1546107-B1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2010-03-31 — — EP disclosed
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