SCHEMBL7207029

SCHEMBL7207029

O=[N+]([O-])c1ccc(Cl)c2ocnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PIN1 Q13526 1/20 0.40
IDO1 P14902 2/20 0.39
MAPT P10636 4/20 0.37
VCAM1 P19320 5/20 0.37
PDE10A Q9Y233 1/20 0.37
LMNA P02545 2/20 0.36
PKM P14618 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.36
OPRK1 P41145 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL20836034 0.73 TDP1 (0.41) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL1100536 0.73 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL41754 0.70 IDO1 (0.58) ALDH1A1TDP1MEN1KMT2AIDO1
SCHEMBL5382853 0.70 HCAR3 (0.40) ALDH1A1MEN1KMT2AMAPK1PIN1
SCHEMBL13184246 0.69 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2
SCHEMBL30324577 0.69 HSP90AA1 (0.43) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL6537935 0.69 KMT2A (0.61) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL4335935 0.69 PIN1 (0.53) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL22443272 0.67 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL5708827 0.67 TXNRD1 (0.54) ALDH1A1TDP1MEN1KMT2AKDM4E

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
US-6608213-B1 Fluorescence-labeled probe for DNA and a fluorescence-labeled plasmid TOKYO INSTITUTE OF TECHNOLOGY (JP) 2003-08-19 US claimed
US-6608213-B1 Fluorescence-labeled probe for DNA and a fluorescence-labeled plasmid TOKYO INSTITUTE OF TECHNOLOGY (JP) 2003-08-19 US disclosed
EP-0598663-B1 A pretreatment method for blood analysis SYSMEX CORP (JP) 2000-02-02 EP disclosed
US-5496734-A CLASSIFYING AND COUNTING LEUKOCYTES TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1996-03-05 US disclosed
EP-0598663-A2 A pretreatment method for blood analysis TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1994-05-25 EP disclosed