SCHEMBL4048152

SCHEMBL4048152

Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccc(Cl)c(Cl)c3C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.72
ABCG2 Q9UNQ0 12/20 0.72
PNMT P11086 8/20 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
SCHEMBL4048147 0.91 ABCB1 (0.59) ABCB1ABCG2PNMT
SCHEMBL7168885 0.86 ABCB1 (0.80) ABCB1ABCG2
SCHEMBL4047475 0.84 ABCB1 (1.00) ABCB1ABCG2
SCHEMBL7169032 0.79 ABCB1 (0.85) ABCB1ABCG2
SCHEMBL4046056 0.78 ABCB1 (0.75) ABCB1ABCG2
SCHEMBL3885917 0.78 ABCB1 (1.00) ABCB1ABCG2
SCHEMBL7168551 0.78 ABCG2 (0.75) ABCB1ABCG2
SCHEMBL8507544 0.77 PNMT (0.81) PNMT
SCHEMBL4041119 0.76 ABCB1 (0.83) ABCB1ABCG2
SCHEMBL7168883 0.76 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