SCHEMBL11083161

SCHEMBL11083161

CCOC(=O)c1nc2c3cc(S(C)(=O)=O)ccc3n(C)c(=O)n2n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.51
SMN1; SMN2 Q16637 2/20 0.42
ADORA2A P29274 1/20 0.42
PARG Q86W56 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 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
SCHEMBL11087008 0.86 ADORA3 (0.57) ADORA3ADORA2ALMNA
SCHEMBL11166363 0.85 PARG (0.44) SMN1; SMN2PARGUSP2LMNAMAPK1
SCHEMBL11082791 0.84 ADORA3 (0.61) ADORA3ADORA2ALMNA
SCHEMBL11087802 0.83 MAPT (0.56) ADORA3LMNA
SCHEMBL11083828 0.82 ADORA3 (0.52) ADORA3ADORA2A
SCHEMBL11087927 0.82 ADORA3 (0.67) ADORA3
SCHEMBL11089403 0.82 ADORA3 (0.55) ADORA3ADORA2A
SCHEMBL11079707 0.79 ADORA3 (0.52) ADORA3ADORA2ALMNA
SCHEMBL11086256 0.78 ADORA3 (0.49) ADORA3ADORA2ALMNA
SCHEMBL11083590 0.76 ADORA3 (0.51) ADORA3ADORA2A

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