SCHEMBL5760938

SCHEMBL5760938

CC(=O)OCCc1c([N+](=O)[O-])cc([AsH2])c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.48
STAT3 P40763 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP6 P55212 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CTSB P07858 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6180186 0.85 RAD52 (0.48) RAD52STAT3LMNAALDH1A1MEN1
SCHEMBL5734192 0.79 CYP19A1 (0.45) RAD52LMNAALDH1A1MEN1KMT2A
SCHEMBL6183967 0.77 RAD52 (0.41) RAD52LMNAALDH1A1KMT2AMAPT
SCHEMBL5735296 0.75 RAD52 (0.42) RAD52STAT3LMNAALDH1A1MAPT
SCHEMBL7421292 0.74 MAOB (0.52) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL22117070 0.69 RAB9A (0.73) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL8068000 0.69 MAOB (0.50) ALDH1A1MEN1KMT2ATSHRRAB9A
SCHEMBL9031916 0.69 ITGB1 (0.38) RAD52LMNAALDH1A1MEN1KMT2A
SCHEMBL16390168 0.68 ALDH1A1 (0.61) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL6057727 0.68 MAPT (0.38) RAD52LMNAALDH1A1MEN1KMT2A

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