SCHEMBL8835984

SCHEMBL8835984

COc1ccc(CCN(C)CCCCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.58
▸ ABCB1 P08183 3/20 0.58
▸ MAPT P10636 1/20 0.53
▸ TP53 P04637 2/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AHR P35869 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ KDR P35968 1/20 0.41
▸ SMPD1 P17405 1/20 0.40
▸ PLA2G7 Q13093 1/20 0.40

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
SCHEMBL8790105 0.92 ABCG2 (0.61) ABCG2ABCB1MAPTTP53MEN1
SCHEMBL8789166 0.90 ABCG2 (0.65) ABCG2ABCB1MAPTTP53MEN1
SCHEMBL8789662 0.88 ABCG2 (0.64) ABCG2ABCB1MAPTTP53MEN1
SCHEMBL8789486 0.87 ABCG2 (0.61) ABCG2ABCB1MAPTTP53KLKB1
SCHEMBL8788906 0.86 ABCG2 (0.69) ABCG2ABCB1MAPTTP53MEN1
SCHEMBL8790755 0.86 ABCG2 (0.58) ABCG2ABCB1MAPTTP53MEN1
SCHEMBL8789648 0.85 ABCG2 (0.63) ABCG2ABCB1MAPTTP53MEN1
SCHEMBL8789872 0.85 ABCG2 (0.57) ABCG2ABCB1MAPTTP53MEN1
SCHEMBL8790168 0.84 ABCG2 (0.62) ABCG2ABCB1MAPTTP53KLKB1
SCHEMBL8789962 0.84 ABCG2 (0.65) ABCG2ABCB1MAPTTP53MEN1

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-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 — — US disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP disclosed
Send feedback