SCHEMBL3718308

SCHEMBL3718308

CC(=O)NC(C)c1ccc2nc(Oc3ccc(NC(C)C)cc3Br)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.37
BRAF P15056 4/20 0.37
MMP9 P14780 1/20 0.36
ALOX5 P09917 1/20 0.35
ACACA Q13085 3/20 0.35
HCRTR1 O43613 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SYK P43405 2/20 0.34

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
SCHEMBL3720672 0.89 ACACB (0.38) ACACBBRAFMMP9ACACAHCRTR1
SCHEMBL3724126 0.85 ACACB (0.48) ACACBMMP9ALOX5ACACA
SCHEMBL3723775 0.85 ACACB (0.46) ACACBALOX5ACACA
SCHEMBL3716931 0.84 PDE4B (0.42)
SCHEMBL3802819 0.83 ACACB (0.37) ACACBBRAFMMP9ALOX5ACACA
SCHEMBL3722861 0.83
SCHEMBL3722995 0.83 ACACB (0.49) ACACBACACA
SCHEMBL3719940 0.82 ACACA (0.48) ACACBMMP9ACACAHCRTR1TDP1
SCHEMBL3720613 0.81 ACACB (0.48) ACACBALOX5ACACA
SCHEMBL3720899 0.81 ACACB (0.51) ACACBACACA

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed