SCHEMBL7169083

SCHEMBL7169083

COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3F)cc1)CC2

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 18/20 0.78
ABCB1 P08183 17/20 0.78

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
SCHEMBL7171144 0.94 ABCG2 (0.83) ABCG2ABCB1
SCHEMBL7170917 0.91 ABCG2 (0.88) ABCG2ABCB1
SCHEMBL7172809 0.91 ABCG2 (0.87) ABCG2ABCB1
SCHEMBL7167646 0.90 ABCG2 (0.85) ABCG2ABCB1
SCHEMBL7170948 0.90 ABCG2 (0.79) ABCG2ABCB1
SCHEMBL7168880 0.88 ABCG2 (0.84) ABCG2ABCB1
SCHEMBL7170174 0.88 ABCG2 (1.00) ABCG2ABCB1
SCHEMBL7167546 0.88 ABCG2 (0.84) ABCG2ABCB1
SCHEMBL7176118 0.87 ABCG2 (0.80) ABCG2ABCB1
SCHEMBL7168889 0.87 ABCG2 (0.83) ABCG2ABCB1

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
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