SCHEMBL8632007

SCHEMBL8632007

COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nn(CCc3ccccc3)c2C(=O)Nc2ccccc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.49
PI4KB Q9UBF8 4/20 0.42
ALPG P10696 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL7777659 0.93 PTGS2 (0.47) PTGS2ALPGSMN1; SMN2PTGS1MEN1
SCHEMBL7780128 0.92 PTGS2 (0.47) PTGS2PI4KBPTGS1
SCHEMBL7777879 0.90 PTGS2 (0.49) PTGS2PI4KBPTGS1
SCHEMBL8181641 0.90 PTGS2 (0.52) PTGS2PI4KBPTGS1
SCHEMBL7778215 0.90 PTGS2 (0.54) PTGS2PI4KBPTGS1
SCHEMBL7779842 0.87 PTGS2 (0.46) PTGS2PI4KBPTGS1KDM4EKMT2A
SCHEMBL7779889 0.87 PTGS2 (0.46) PTGS2PI4KBPTGS1
SCHEMBL7779398 0.85 PTGS2 (0.48) PTGS2PTGS1MEN1KMT2A
SCHEMBL7777989 0.84 PTGS2 (0.54) PTGS2PTGS1NPSR1
SCHEMBL7779812 0.84 PTGS2 (0.56) PTGS2PI4KBPTGS1

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed