SCHEMBL8809325

SCHEMBL8809325

COc1cccc(-c2cc(C(=O)Nc3ccc(CCCNC(C)c4ccc(OC)c(OC)c4)cc3)c3ccccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ MAPT P10636 7/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ POLB P06746 2/20 0.55
▸ CYP3A4 P08684 2/20 0.54
▸ TP53 P04637 3/20 0.53
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ PTPN5 P54829 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL8808191 0.93 MAPT (0.62) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8808583 0.89 CA12 (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8807114 0.89 MEN1 (0.59) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8830724 0.88 MAPT (0.66) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8809319 0.84 MEN1 (0.61) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8809314 0.82 MEN1 (0.60) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8808228 0.77 ABCG2 (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28574876 0.77 MEN1 (0.75) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8807105 0.76 MEN1 (0.59) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8807291 0.76 ABCG2 (0.42) MEN1KMT2AMAPTSMN1; SMN2TP53

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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