SCHEMBL4046056

SCHEMBL4046056

Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc4c(cc3C2)OCO4)cc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 19/20 0.75
ABCG2 Q9UNQ0 16/20 0.75
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL4042102 0.91 ABCB1 (0.61) ABCB1ABCG2ALDH1A1
SCHEMBL7168885 0.88 ABCB1 (0.80) ABCB1ABCG2
SCHEMBL4047475 0.86 ABCB1 (1.00) ABCB1ABCG2
SCHEMBL3885917 0.85 ABCB1 (1.00) ABCB1ABCG2
SCHEMBL4041119 0.84 ABCB1 (0.83) ABCB1ABCG2
SCHEMBL4041965 0.83 ABCB1 (0.76) ABCB1ABCG2
SCHEMBL7168551 0.81 ABCG2 (0.75) ABCB1ABCG2ALDH1A1
SCHEMBL7169032 0.81 ABCB1 (0.85) ABCB1ABCG2
SCHEMBL7167675 0.80 ABCB1 (0.90) ABCB1ABCG2
SCHEMBL7168883 0.78 ABCB1 (0.64) 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