SCHEMBL2835550

SCHEMBL2835550

Cc1nc(-c2ncccc2O)n(CCc2ccccc2)c(=O)c1CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.61
NR1I2 O75469 2/20 0.51
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2839040 0.82 CASR (0.63) CASRNR1I2
SCHEMBL4143626 0.76 CASR (0.83) CASRNR1I2
SCHEMBL2840722 0.76 CASR (0.73) CASRNR1I2
SCHEMBL3381254 0.76 CASR (1.00) CASRNR1I2
Hydrochloric Acid SCHEMBL2835851 0.76 CASR (0.72) CASRNR1I2
SCHEMBL4142394 0.76 CASR (0.81) CASRNR1I2
SCHEMBL4149179 0.75 CASR (0.80) CASRNR1I2
SCHEMBL1179158 0.74 CASR (0.52) CASR
SCHEMBL2833039 0.73 CASR (0.78) CASRNR1I2
SCHEMBL2865002 0.73 CASR (0.43) CASRNR1I2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039913-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO claimed
WO-2010039913-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed
WO-2010039913-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed