SCHEMBL4040688

SCHEMBL4040688

COc1cc2c(cc1OC)CN(CCOc1ccc(NC(=O)c3ccccc3C(N)=O)cc1)CC2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 19/20 0.64
ABCG2 Q9UNQ0 12/20 0.64
MAOA P21397 1/20 0.54
MAOB P27338 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
SCHEMBL4040694 0.91 ABCB1 (0.77) ABCB1ABCG2
SCHEMBL3885910 0.87 ABCB1 (0.83) ABCB1ABCG2
SCHEMBL7170137 0.87 ABCB1 (0.63) ABCB1ABCG2
SCHEMBL4039109 0.86 ABCB1 (0.56) ABCB1ABCG2
SCHEMBL7167666 0.86 ABCG2 (0.75) ABCB1ABCG2
SCHEMBL7171133 0.85 ABCB1 (0.68) ABCB1ABCG2
SCHEMBL4038565 0.82 ABCB1 (0.69) ABCB1ABCG2
SCHEMBL4043595 0.82 ABCB1 (0.59) ABCB1ABCG2
SCHEMBL8792641 0.82 ABCB1 (0.69) ABCB1ABCG2
SCHEMBL4042171 0.81 SIGMAR1 (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 3 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
US-6218393-B1 IN THERAPY OF MULTIDRUG RESISTANT CANCERS, FOR EXAMPLE TO POTENTIATE CYTOTOXICITY OF CANCER DRUG XENOVA LIMITED (GB) 2001-04-17 US claimed
EP-1506188-B1 PROCESS FOR THE PREPARATION OF A HYDRATE OF AN ANTHRANILIC ACID DERIVATIVE XENOVA LTD (GB) 2009-02-25 EP disclosed