SCHEMBL5157864

SCHEMBL5157864

Cc1cc([N+](=O)[O-])c2ccccc2[n+]1[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
KDM4E B2RXH2 2/20 1.00
NPC1 O15118 2/20 1.00
S1PR4 O95977 1/20 1.00
S1PR1 P21453 1/20 1.00
HTT P42858 1/20 1.00
RAB9A P51151 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
CTSB P07858 2/20 0.49
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
HSD17B10 Q99714 1/20 0.43
BRD4 O60885 1/20 0.43
HPRT1 P00492 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MITF O75030 1/20 0.40
CASP6 P55212 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL31237966 1.00 MAPT (1.00) MAPTKDM4ENPC1S1PR4S1PR1
SCHEMBL11709427 0.80 MAPT (0.67) MAPTKDM4ENPC1S1PR4S1PR1
SCHEMBL29750885 0.80 MAPT (0.67) MAPTKDM4ENPC1S1PR4S1PR1
SCHEMBL3391710 0.74 MAPT (0.59) MAPTKDM4ENPC1S1PR4S1PR1
SCHEMBL30122135 0.72 MAPT (0.56) MAPTKDM4ENPC1S1PR4S1PR1
SCHEMBL6093473 0.72 MAPT (0.56) MAPTKDM4ENPC1S1PR4S1PR1
SCHEMBL10901434 0.72 MAPT (0.56) MAPTKDM4ENPC1S1PR4S1PR1
SCHEMBL14344181 0.71 MAPT (0.54) MAPTKDM4ENPC1S1PR4S1PR1
4-Nitroquinoline-1-Oxide SCHEMBL21114410 0.70 MAPT (0.56) MAPTKDM4ENPC1S1PR4S1PR1
4-Nitroquinoline-1-Oxide SCHEMBL105454 0.70 MAPT (0.56) MAPTKDM4ENPC1S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383782-A The synthetic method of 4- amidoquinaldines 北京凯恩梅格医药科技有限公司 2018-08-10 CN claimed
CN-108383782-A The synthetic method of 4- amidoquinaldines 北京凯恩梅格医药科技有限公司 2018-08-10 CN disclosed
CN-101347623-A Multifunctional nanodevice platform UNIV MICHIGAN (US) 2009-01-21 CN disclosed
EP-1206288-B1 TARGETED FIBERLESS RADIATIVE EFFECTORS UNIV MICHIGAN (US) 2007-01-10 EP disclosed
CN-1471407-A Multifunctional nano device platform ��ִ��������ѧ���»� 2004-01-28 CN disclosed
EP-1301211-A2 MULTIFUNCTIONAL NANODEVICE PLATFORM THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2003-04-16 EP disclosed
US-20020165179-A1 Multifunctional nanodevice platform NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-11-07 US disclosed
US-6471968-B1 DENDRIMER BASED MULTIFUNCTIONAL COMPOSITIONS FOR DISEASE DIAGNOSIS AND THERAPY (E.G. CANCER DIAGNOSIS AND THERAPY); FIRST DENDRIMER IS A POLYAMIDOAMINE (PAMAM) DENDRIMER, SECOND DENDRIMER IS A POLYPROPYLAMINE (POPAM) DENDRIMER REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-10-29 US disclosed
EP-1206288-A2 TARGETED FIBERLESS RADIATIVE EFFECTORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2002-05-22 EP disclosed
WO-2001087348-A2 MULTIFUNCTIONAL NANODEVICE PLATFORM THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2001-11-22 WO disclosed
WO-2001008660-A2 TARGETED FIBERLESS RADIATIVE EFFECTORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2001-02-08 WO disclosed