SCHEMBL4039110

SCHEMBL4039110

COc1cc2c(cc1OC)CN(CC(O)COc1ccc(NC(=O)c3ccccc3N)cc1)CC2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 17/20 0.68
ABCG2 Q9UNQ0 14/20 0.68
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4039109 0.92 ABCB1 (0.56) ABCB1ABCG2PRMT5WDR77MEN1
SCHEMBL4040694 0.86 ABCB1 (0.77) ABCB1ABCG2
SCHEMBL4043602 0.84 ABCB1 (0.72) ABCB1ABCG2
SCHEMBL8806594 0.84 ABCB1 (0.58) ABCB1ABCG2PRMT5WDR77MEN1
SCHEMBL7171136 0.82 ABCB1 (0.83) ABCB1ABCG2
SCHEMBL8812275 0.82 ABCG2 (0.71) ABCB1ABCG2PRMT5WDR77
SCHEMBL8808208 0.81 PRMT5 (0.60) ABCB1PRMT5WDR77MEN1KMT2A
SCHEMBL3885917 0.81 ABCB1 (1.00) ABCB1ABCG2
SCHEMBL8807430 0.80 KMT2A (0.53) ABCB1ABCG2PRMT5WDR77MEN1
SCHEMBL7167675 0.79 ABCB1 (0.90) 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