SCHEMBL636598

SCHEMBL636598

COc1cc(NN)c([N+](=O)[O-])cc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX15 P16050 1/20 0.53
PRKDC P78527 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL9395834 0.84 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL8540748 0.81 LMNA (0.52) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL210330 0.80 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL29800558 0.80 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL3480822 0.79 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL3449782 0.79 LMNA (0.51) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL9135453 0.78 LMNA (0.47) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL9396485 0.78 MAPT (0.52) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL1694595 0.78 MAPT (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL28013946 0.78 HTT (0.60) ALDH1A1MAPTCYP3A4KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2267165-B1 Nucleic acid sequence analysis GEN PROBE INC (US) 2016-11-30 EP disclosed
EP-2267164-B1 Nucleic acid sequence analysis GEN PROBE INC (US) 2016-09-14 EP disclosed
EP-1229133-B1 Apparatus for nucleic acid sequence analysis GEN PROBE INC (US) 2016-03-09 EP disclosed
EP-1017848-B2 NUCLEIC ACID SEQUENCE ANALYSIS GEN PROBE INC (US) 2012-02-22 EP disclosed
EP-2267164-A2 Nucleic acid sequence analysis Gen-Probe Incorporated (US) 2010-12-29 EP disclosed
EP-2267165-A2 Nucleic acid sequence analysis GEN-PROBE INCORPORATED (US) 2010-12-29 EP disclosed
US-20100316999-A1 Nucleic Acid Sequence Analysis CYTYC CORPORATION 2010-12-16 US disclosed
US-20080014592-A1 Nucleic Acid Sequence Analysis REJUVIGEN LIMITED (GB) 2008-01-17 US disclosed
US-7008766-B1 Nucleic acid sequence analysis MEDICAL BIOSYSTEMS, LTD. (GB) 2006-03-07 US disclosed
US-20040241719-A1 Nucleic acid sequence analysis DENSHAM DANIEL HENRY (GB) 2004-12-02 US disclosed
EP-1017848-B1 NUCLEIC ACID SEQUENCE ANALYSIS MEDICAL BIOSYSTEMS LTD (GB) 2002-10-09 EP disclosed
EP-1229133-A2 Nucleic acid sequence analysis Medical Biosystems Ltd. (GB) 2002-08-07 EP disclosed
EP-1017848-A2 NUCLEIC ACID SEQUENCE ANALYSIS Medical Biosystems Ltd. (GB) 2000-07-12 EP disclosed
WO-1999005315-A2 NUCLEIC ACID SEQUENCE ANALYSIS MEDICAL BIOSYSTEMS LTD. (GB) 1999-02-04 WO disclosed