SCHEMBL11079707

SCHEMBL11079707

CCOC(=O)c1nc2c3cc(OC)c(OC)cc3n(C)c(=O)n2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.52
ALDH1A1 P00352 1/20 0.45
THRB P10828 2/20 0.43
ADORA2A P29274 1/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL11089403 0.87 ADORA3 (0.55) ADORA3ADORA2A
SCHEMBL11169338 0.83 THRB (0.42) ALDH1A1THRBLMNARXFP1MAPT
SCHEMBL11087008 0.83 ADORA3 (0.57) ADORA3ADORA2ALMNA
SCHEMBL11086256 0.82 ADORA3 (0.49) ADORA3ALDH1A1ADORA2ALMNA
SCHEMBL11082791 0.81 ADORA3 (0.61) ADORA3ALDH1A1ADORA2ALMNA
SCHEMBL11087927 0.81 ADORA3 (0.67) ADORA3ALDH1A1RXFP1
SCHEMBL11083828 0.80 ADORA3 (0.52) ADORA3ADORA2A
SCHEMBL11083590 0.79 ADORA3 (0.51) ADORA3ADORA2A
SCHEMBL11087802 0.78 MAPT (0.56) ADORA3LMNAMAPT
SCHEMBL11090875 0.78 KDM4E (0.55) ADORA3ALDH1A1

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