SCHEMBL20052951

SCHEMBL20052951

CCOC(O)c1sc2c(c1C)c(=O)n(CC(=O)O)c(=O)n2CCc1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL14935836 0.85 ACACB (0.60) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL20053017 0.80 MAPT (0.45) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL20220481 0.77 ADORA2B (0.47) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL14944976 0.77 ACACB (0.71) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL14945674 0.76 ACACB (0.49) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL14945673 0.74 ACACB (0.57) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL14948749 0.71 ADORA2B (0.58) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL20053003 0.71 ADORA2B (0.54) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL20651099 0.71 ACACB (0.53) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL20220430 0.71 ADORA2B (0.54) ADORA2BACACBACACAMEN1KMT2A

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-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed