SCHEMBL4047475

SCHEMBL4047475

Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 16/20 1.00
ABCG2 Q9UNQ0 15/20 1.00
TNF P01375 1/20 0.62
NOD1 Q9Y239 1/20 0.62
DRD2 P14416 1/20 0.61
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL7169032 0.92 ABCB1 (0.85) ABCB1ABCG2TNFNOD1DRD2
SCHEMBL4047473 0.89 ABCB1 (0.80) ABCB1ABCG2TNFNOD1DRD2
SCHEMBL7168885 0.89 ABCB1 (0.80) ABCB1ABCG2
SCHEMBL3885917 0.86 ABCB1 (1.00) ABCB1ABCG2
SCHEMBL4046056 0.86 ABCB1 (0.75) ABCB1ABCG2
SCHEMBL7168551 0.86 ABCG2 (0.75) ABCB1ABCG2
SCHEMBL4041119 0.85 ABCB1 (0.83) ABCB1ABCG2
SCHEMBL4048152 0.84 ABCB1 (0.72) ABCB1ABCG2
SCHEMBL7167675 0.81 ABCB1 (0.90) ABCB1ABCG2
SCHEMBL7169029 0.81 ABCB1 (0.67) ABCB1ABCG2TNFNOD1DRD2

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