SCHEMBL4042085

SCHEMBL4042085

COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(SC)ccc3C(N)=O)cc1)CC2

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 20/20 0.68
ABCG2 Q9UNQ0 18/20 0.68

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
SCHEMBL4042089 0.91 ABCB1 (0.77) ABCB1ABCG2
SCHEMBL3885147 0.90 ABCB1 (0.77) ABCB1ABCG2
SCHEMBL7168646 0.89 ABCB1 (0.71) ABCB1ABCG2
SCHEMBL4048095 0.89 ABCB1 (0.71) ABCB1ABCG2
SCHEMBL4045320 0.88 ABCB1 (0.70) ABCB1ABCG2
SCHEMBL4045945 0.88 ABCB1 (0.70) ABCB1ABCG2
SCHEMBL3885910 0.88 ABCB1 (0.83) ABCB1ABCG2
SCHEMBL4042173 0.87 ABCB1 (0.68) ABCB1ABCG2
SCHEMBL5211256 0.86 ABCB1 (0.72) ABCB1ABCG2
SCHEMBL4040129 0.85 ABCB1 (0.71) ABCB1ABCG2

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-0934276-B1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LTD (GB) 2003-12-17 EP claimed
EP-1506188-B1 PROCESS FOR THE PREPARATION OF A HYDRATE OF AN ANTHRANILIC ACID DERIVATIVE XENOVA LTD (GB) 2009-02-25 EP disclosed