SCHEMBL11085153

SCHEMBL11085153

CCOC(=O)c1nc2c3ccc(C(F)(F)F)cc3[nH]c(=O)n2n1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.50

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
SCHEMBL11173744 0.85 JAK2 (0.44) ADORA3
SCHEMBL29646349 0.82 ADORA3 (0.65) ADORA3
SCHEMBL11084100 0.82 ADORA3 (0.65) ADORA3
SCHEMBL462802 0.80 HAVCR2 (0.67)
SCHEMBL11083902 0.80 ADORA3 (0.66) ADORA3
SCHEMBL11083590 0.80 ADORA3 (0.51) ADORA3
SCHEMBL11090875 0.79 KDM4E (0.55) ADORA3
SCHEMBL8375789 0.79 CA12 (0.48)
SCHEMBL11090747 0.78 ADORA3 (0.67) ADORA3
SCHEMBL11087253 0.77 ADORA3 (0.54) ADORA3

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-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed