SCHEMBL5732770

SCHEMBL5732770

[CH2]Cc1c(NC(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL5734174 0.91 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDSRD5A1
SCHEMBL5734826 0.91 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDSRD5A1
SCHEMBL5734699 0.88 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDSRD5A1
SCHEMBL6179251 0.86 P4HB (0.42) KDM4EALDH1A1LMNAHPGDSRD5A1
SCHEMBL6178008 0.79 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDSRD5A1
SCHEMBL6245786 0.79 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDSRD5A1
SCHEMBL6180847 0.77 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDSRD5A1
SCHEMBL6245792 0.77 LMNA (0.41) KDM4EALDH1A1LMNAHPGDSRD5A1
SCHEMBL5733051 0.77 LMNA (0.41) KDM4EALDH1A1LMNAHPGDSRD5A1
SCHEMBL5733054 0.76 LMNA (0.47) KDM4EALDH1A1LMNAHPGDTP53

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-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 WO disclosed