SCHEMBL4447847

SCHEMBL4447847

NC=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.58
UBE2N P61088 1/20 0.58
KMT2A Q03164 1/20 0.58
GSK3B P49841 1/20 0.52
APP P05067 6/20 0.52
ALDH1A1 P00352 4/20 0.52
THRB P10828 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
AKR1C3 P42330 1/20 0.51
HPGD P15428 2/20 0.49
HTT P42858 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
SCHEMBL6392458 0.91 APP (0.64) KDM4EKMT2AAPPALDH1A1HPGD
SCHEMBL6392455 0.91 APP (0.64) KDM4EKMT2AAPPALDH1A1HPGD
SCHEMBL2604928 0.87 LCK (0.62) LMNAKDM4EPOLBUBE2NKMT2A
SCHEMBL2092146 0.84 LMNA (0.59) LMNAKDM4EPOLBUBE2NKMT2A
SCHEMBL2092149 0.84 LMNA (0.59) LMNAKDM4EPOLBUBE2NKMT2A
SCHEMBL2604940 0.83 LMNA (0.58) LMNAKDM4EPOLBUBE2NKMT2A
SCHEMBL3681804 0.81 LMNA (0.60) LMNAKDM4EPOLBUBE2NKMT2A
SCHEMBL3672656 0.81 LMNA (0.60) LMNAKDM4EPOLBUBE2NKMT2A
SCHEMBL7086040 0.81 CCNB2 (0.65) LMNAKDM4EPOLBUBE2NKMT2A
SCHEMBL11162008 0.81 LMNA (0.56) LMNAKDM4EPOLBUBE2NKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050452-A1 indenoisoquinolines as topoisomerase inhibitors I useful as antineoplastic agents Purdue Research Foundation (US) 2009-04-22 EP disclosed
US-6509344-B1 A method for treating a patient having cancer, said method comprising the step of administering to the patient an effective amount of a compound according to claim 1, whereupon said patient is treated for cancer, and wherein the cancer is THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-01-21 US disclosed
EP-1123099-A4 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2002-08-21 EP disclosed
EP-1123099-A1 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2001-08-16 EP disclosed
WO-2000021537-A1 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-04-20 WO disclosed