SCHEMBL8807360

SCHEMBL8807360

COc1ccc(C(C)NCCCc2ccc(NC(=O)c3cccc4c(=O)c5cc(F)ccc5sc34)cc2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.39
▸ ABCG2 Q9UNQ0 3/20 0.39
▸ MAPT P10636 4/20 0.36
▸ TP53 P04637 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL8806996 0.98 ABCB1 (0.38) ABCB1ABCG2MAPTTP53RXFP1
SCHEMBL8806947 0.96 ABCB1 (0.39) ABCB1ABCG2MAPTTP53RXFP1
SCHEMBL8809649 0.92 MAPT (0.40) ABCB1ABCG2MAPTTP53POLB
SCHEMBL8807291 0.90 ABCG2 (0.42) ABCB1ABCG2MAPTTP53KLKB1
SCHEMBL8809583 0.90 MAPT (0.40) ABCB1ABCG2MAPTTP53POLB
SCHEMBL8808107 0.89 MAPT (0.39) ABCB1ABCG2MAPTTP53POLB
SCHEMBL8806065 0.88 SLC2A1 (0.39) ABCB1ABCG2MAPTTP53RXFP1
SCHEMBL8807960 0.87 MAPT (0.43) ABCB1ABCG2MAPTTP53POLB
SCHEMBL8807066 0.86 ABCG2 (0.42) ABCB1ABCG2MAPTTP53KLKB1
SCHEMBL8807354 0.83 ABCG2 (0.40) ABCB1ABCG2MAPTTP53RXFP1

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
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