SCHEMBL6769441

SCHEMBL6769441

O=C(CCl)NNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
POLB P06746 3/20 0.64
ALDH1A1 P00352 4/20 0.62
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
LMNA P02545 2/20 0.56
THRB P10828 1/20 0.55
MCL1 Q07820 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL28723007 0.86 MEN1 (0.82) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL8879368 0.80 MAPT (0.80) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL9202974 0.80 MAPT (0.63) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL28174679 0.80 MAPT (0.68) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL28007431 0.80 MAPT (0.76) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL15376194 0.80 MAPT (0.63) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL27472751 0.80 MEN1 (0.72) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL4929277 0.80 MEN1 (0.77) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL6765829 0.79 ALDH1A1 (0.61) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL10610310 0.79 ALDH1A1 (0.90) MAPTMEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed
EP-0223937-B1 INDOLES SUBSTITUTED WITH HETEROCYCLES, INTERMEDIATES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS Roche Diagnostics GmbH (DE) 1992-03-18 EP disclosed
US-4851406-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE BOEHRINGER MANNHEIM GMBH (DE) 1989-07-25 US disclosed
EP-0223937-A1 Indoles substituted with heterocycles, intermediates, process for their preparation and medicaments Roche Diagnostics GmbH (DE) 1987-06-03 EP disclosed