SCHEMBL7207092

SCHEMBL7207092

Cc1cnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.63
PTGS1 P23219 2/20 0.49
GPR17 Q13304 1/20 0.48

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
SCHEMBL6168517 0.83 PTGS2 (0.62) PTGS2PTGS1GPR17
SCHEMBL6170778 0.82 PTGS2 (0.76) PTGS2PTGS1GPR17
SCHEMBL6170571 0.81 PTGS2 (0.71) PTGS2PTGS1GPR17
SCHEMBL6170376 0.81 PTGS2 (0.65) PTGS2PTGS1GPR17
SCHEMBL8120959 0.81 PTGS2 (0.57) PTGS2PTGS1GPR17
SCHEMBL6169260 0.81 PTGS2 (0.59) PTGS2PTGS1GPR17
SCHEMBL6169948 0.81 PTGS2 (0.73) PTGS2PTGS1GPR17
SCHEMBL6170593 0.79 PTGS2 (0.59) PTGS2PTGS1GPR17
SCHEMBL6170181 0.79 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6169641 0.79 PTGS2 (0.59) PTGS2PTGS1GPR17

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-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed