SCHEMBL4042178

SCHEMBL4042178

COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3C(N)=O)c(C)c1)CC2

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 19/20 0.65
ABCB1 P08183 16/20 0.65

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
SCHEMBL7173198 0.93 ABCG2 (0.67) ABCG2ABCB1
SCHEMBL4046278 0.91 ABCG2 (0.78) ABCG2ABCB1
SCHEMBL3885910 0.88 ABCB1 (0.83) ABCG2ABCB1
SCHEMBL4038565 0.86 ABCB1 (0.69) ABCG2ABCB1
SCHEMBL7172486 0.84 ABCG2 (0.80) ABCG2ABCB1
SCHEMBL8808041 0.83 ABCG2 (0.67) ABCG2ABCB1
SCHEMBL7167666 0.82 ABCG2 (0.75) ABCG2ABCB1
SCHEMBL8790395 0.82 ABCB1 (0.81) ABCG2ABCB1
SCHEMBL7167546 0.81 ABCG2 (0.84) ABCG2ABCB1
SCHEMBL4049213 0.81 ABCB1 (0.62) 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 5 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
WO-2009151487-A1 METHODS OF ASSAYING VACCINE POTENCY RECEPTOR LOGIC, INC. (US) 2009-12-17 WO disclosed
WO-2009026547-A1 METHODS OF ASSAYING VACCINE POTENCY RECEPTOR LOGI, LTD. (US) 2009-02-26 WO disclosed
EP-1506188-B1 PROCESS FOR THE PREPARATION OF A HYDRATE OF AN ANTHRANILIC ACID DERIVATIVE XENOVA LTD (GB) 2009-02-25 EP disclosed