SCHEMBL20052970

SCHEMBL20052970

CCOC(=O)c1sc2c(c1C)c(=O)n(CCC=N)c(=O)n2CCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.79
ACACA Q13085 1/20 0.79
ADORA2B P29275 15/20 0.77
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
LMNA P02545 1/20 0.54

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
SCHEMBL14935928 0.89 ACACB (0.87) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL20651000 0.89 ACACB (0.77) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14944943 0.89 ACACB (1.00) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14936242 0.88 ACACB (0.85) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14936299 0.88 ACACB (0.84) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14944991 0.88 ACACB (0.80) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14936059 0.87 ADORA2B (1.00) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14936183 0.87 ACACB (0.89) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL16920241 0.87 ACACB (0.82) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14944954 0.87 ACACB (0.82) ACACBACACAADORA2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed