SCHEMBL7168489

SCHEMBL7168489

COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cccc(Cl)c3)cc1)CC2

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 20/20 0.85
ABCB1 P08183 16/20 0.85
CYP1A2 P05177 1/20 0.64
CYP2C8 P10632 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
ABCC1 P33527 1/20 0.64

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
SCHEMBL7168670 0.92 ABCG2 (0.88) ABCG2ABCB1CYP1A2CYP2C8CYP2D6
SCHEMBL7169098 0.92 ABCG2 (0.88) ABCG2ABCB1CYP1A2CYP2C8CYP2D6
SCHEMBL7170174 0.92 ABCG2 (1.00) ABCG2ABCB1CYP1A2CYP2C8CYP2D6
SCHEMBL7168653 0.91 ABCG2 (0.86) ABCG2ABCB1CYP1A2CYP2C8CYP2D6
SCHEMBL7168517 0.91 ABCG2 (0.86) ABCG2ABCB1CYP1A2CYP2C8CYP2D6
SCHEMBL7173340 0.91 ABCG2 (0.85) ABCG2ABCB1CYP1A2CYP2C8CYP2D6
SCHEMBL7167646 0.91 ABCG2 (0.85) ABCG2ABCB1CYP1A2CYP2C8CYP2D6
SCHEMBL29387641 0.90 ABCG2 (1.00) ABCG2ABCB1CYP1A2CYP2C8CYP2D6
SCHEMBL7168889 0.90 ABCG2 (0.83) ABCG2ABCB1
SCHEMBL7171703 0.89 ABCG2 (0.82) ABCG2ABCB1CYP1A2CYP2C8CYP2D6

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
CN-1241181-A Pharmaceutical compounds XENOVA LTD (GB) 2000-01-12 CN disclosed