SCHEMBL8790105

SCHEMBL8790105

COc1ccc(CCN(C)CCCCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.61
▸ ABCB1 P08183 4/20 0.61
▸ MAPT P10636 2/20 0.43
▸ SMPD1 P17405 2/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL8789662 0.97 ABCG2 (0.64) ABCG2ABCB1MAPTSMPD1CYP3A4
SCHEMBL8789486 0.93 ABCG2 (0.61) ABCG2ABCB1MAPTCYP3A4TP53
SCHEMBL8789962 0.92 ABCG2 (0.65) ABCG2ABCB1MAPTSMPD1CYP3A4
SCHEMBL8835984 0.92 ABCG2 (0.58) ABCG2ABCB1MAPTSMPD1TP53
SCHEMBL8789648 0.92 ABCG2 (0.63) ABCG2ABCB1MAPTCYP3A4CYP1A2
SCHEMBL8790168 0.91 ABCG2 (0.62) ABCG2ABCB1MAPTCYP3A4TP53
SCHEMBL8789872 0.90 ABCG2 (0.57) ABCG2ABCB1MAPTCYP3A4TP53
SCHEMBL8789246 0.89 ABCG2 (0.66) ABCG2ABCB1MAPTSMPD1CYP3A4
SCHEMBL8790755 0.89 ABCG2 (0.58) ABCG2ABCB1MAPTSMPD1CYP3A4
SCHEMBL8789562 0.88 ABCG2 (0.69) ABCG2ABCB1MAPTSMPD1CYP3A4

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-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 — — EP disclosed
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
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