SCHEMBL8807114

SCHEMBL8807114

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ CYP3A4 P08684 3/20 0.57
▸ MAPT P10636 6/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ TACR3 P29371 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 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 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50

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
SCHEMBL8809325 0.89 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL8830724 0.84 MAPT (0.66) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL8808191 0.83 MAPT (0.62) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL8807108 0.83 MEN1 (0.61) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL8807078 0.81 MAPT (0.46) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL8807105 0.81 MEN1 (0.59) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL8808583 0.81 CA12 (0.55) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL28569106 0.78 KDM4E (0.77) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL8809008 0.78 MAPT (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28574876 0.77 MEN1 (0.75) MEN1KMT2ACYP3A4MAPTKDM4E

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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