SCHEMBL6015571

SCHEMBL6015571

CCOc1ccc(CNC(=O)C(=O)NCCc2ccccn2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.59
TAS1R1 Q7RTX1 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CD O00329 1/20 0.43
KCNA5 P22460 1/20 0.43

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
SCHEMBL703309 0.90 TAS1R3 (0.58) TAS1R3TAS1R1SMN1; SMN2GAAMAPK1
SCHEMBL702807 0.88 TAS1R3 (0.74) TAS1R3TAS1R1SMN1; SMN2GAAALDH1A1
SCHEMBL704790 0.85 TAS1R3 (0.59) TAS1R3TAS1R1SMN1; SMN2GAAALDH1A1
SCHEMBL10273835 0.83 TAS1R3 (0.67) TAS1R3TAS1R1SMN1; SMN2GAAALDH1A1
SCHEMBL702030 0.80 TAS1R3 (0.64) TAS1R3TAS1R1SMN1; SMN2GAAALDH1A1
SCHEMBL30645001 0.80 TAS1R3 (0.64) TAS1R3TAS1R1SMN1; SMN2GAAALDH1A1
SCHEMBL30064606 0.80 TAS1R3 (0.64) TAS1R3TAS1R1SMN1; SMN2GAAALDH1A1
SCHEMBL20656729 0.78 TAS1R3 (0.62) TAS1R3TAS1R1SMN1; SMN2GAAALDH1A1
SCHEMBL22206085 0.78 TAS1R3 (0.64) TAS1R3TAS1R1SMN1; SMN2GAAALDH1A1
SCHEMBL30557690 0.77 TAS1R3 (0.64) TAS1R3TAS1R1SMN1; SMN2ALDH1A1MAPK1

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
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed