SCHEMBL28026344

SCHEMBL28026344

CC(Oc1ccc[n+]([O-])c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 11/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.30
LIPE Q05469 1/20 0.30

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
SCHEMBL28026343 1.00 GPR84 (0.37) GPR84L3MBTL1MEN1KMT2ASLC6A9
SCHEMBL9911367 0.80 GPR84 (0.41) GPR84L3MBTL1MEN1KMT2A
SCHEMBL28309471 0.77 GPR84 (0.43) GPR84L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL27685683 0.76 GPR84 (0.39) GPR84L3MBTL1MEN1KMT2A
SCHEMBL18833426 0.74 KDM4E (0.39) MEN1KMT2A
SCHEMBL28060320 0.74 KDM4E (0.39) MEN1KMT2A
SCHEMBL28026359 0.71 RORC (0.33) SLC6A9
SCHEMBL15776455 0.71 RORC (0.33) SLC6A9
SCHEMBL3179471 0.70
SCHEMBL12814307 0.69 GPR84 (0.41) GPR84L3MBTL1MEN1KMT2A

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-104837818-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2015-08-12 CN disclosed