SCHEMBL8812802

SCHEMBL8812802

COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc4ccccc4c3)cc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 18/20 1.00
ABCB1 P08183 16/20 1.00

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
SCHEMBL8808167 0.94 ABCG2 (0.88) ABCG2ABCB1
SCHEMBL7168467 0.90 ABCB1 (1.00) ABCG2ABCB1
SCHEMBL8809186 0.88 ABCG2 (0.78) ABCG2ABCB1
SCHEMBL8809502 0.86 ABCB1 (0.86) ABCG2ABCB1
SCHEMBL29387641 0.85 ABCG2 (1.00) ABCG2ABCB1
SCHEMBL7170870 0.85 ABCG2 (0.89) ABCG2ABCB1
SCHEMBL7168670 0.84 ABCG2 (0.88) ABCG2ABCB1
SCHEMBL7169865 0.84 ABCG2 (0.90) ABCG2ABCB1
SCHEMBL7168503 0.83 ABCG2 (0.86) ABCG2ABCB1
SCHEMBL7168653 0.83 ABCG2 (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed