SCHEMBL28567809

SCHEMBL28567809

[c]1ccc(-c2ccc3cccsc2-3)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.42
MAPK14 Q16539 1/20 0.42
PTGS1 P23219 11/20 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
SCHEMBL28603928 0.85 PTGS2 (0.54) PTGS2MAPK14PTGS1
SCHEMBL28594300 0.85 PTGS2 (0.54) PTGS2MAPK14PTGS1
SCHEMBL21295828 0.81 PTGS2 (0.37) PTGS2MAPK14PTGS1
SCHEMBL21295778 0.73 LTA4H (0.39)
SCHEMBL21295790 0.73 PTGS2 (0.36) PTGS2MAPK14
SCHEMBL2782853 0.73 PTGS2 (0.68) PTGS2MAPK14PTGS1
SCHEMBL2133316 0.71 PTGS2 (0.66) PTGS2MAPK14PTGS1
SCHEMBL7737501 0.71 PTGS2 (0.66) PTGS2MAPK14PTGS1
SCHEMBL1681771 0.70 PTGS2 (0.65) PTGS2MAPK14PTGS1
SCHEMBL27851311 0.70 PTGS2 (0.43) PTGS2

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
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed