SCHEMBL13639889

SCHEMBL13639889

CCc1ccc(-c2nc3c(s2)-c2sc(-c4ccc(F)cc4)nc2C3=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.45
TRPM8 Q7Z2W7 2/20 0.45
PTGS1 P23219 1/20 0.44
ALOX5 P09917 1/20 0.42
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12973015 0.89 PTGS2 (0.54) PTGS2PTGDR2PTGS1ALOX5IDO1
SCHEMBL7805767 0.75 IDO1 (0.71) PTGS2PTGDR2PTGS1ALOX5IDO1
SCHEMBL12973020 0.73 IDO1 (0.42) PTGS2IDO1TDO2SMN1; SMN2
SCHEMBL7812894 0.72 IDO1 (0.56) PTGS2PTGDR2PTGS1ALOX5IDO1
SCHEMBL7815327 0.72 IDO1 (0.56) PTGS2PTGDR2PTGS1ALOX5IDO1
SCHEMBL4241082 0.72 PTGS2 (0.52) PTGS2PTGDR2TRPM8ALOX5IDO1
SCHEMBL12973017 0.71 RARA (0.46) ALOX5IDO1TDO2SMN1; SMN2
SCHEMBL145807 0.71 LMNA (0.64) IDO1LMNA
SCHEMBL12973024 0.70 RAB9A (0.45) PTGS2PTGS1LMNASMN1; SMN2
SCHEMBL8597621 0.70 IDO1 (0.76) PTGS2PTGS1ALOX5IDO1TDO2

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-2520572-A1 Nitrogen-containing fused-ring compound, polymer comprising a nitrogen-containing fused-ring repeating unit, organic thin film, and organic thin film element SUMITOMO CHEMICAL CO., LTD. (JP) 2012-11-07 EP disclosed