SCHEMBL6607225

SCHEMBL6607225

O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCNCC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.68
KCNJ1 P48048 3/20 0.67
KCNH2 Q12809 3/20 0.67
ALDH1A1 P00352 5/20 0.65
LMNA P02545 1/20 0.65
KDM4E B2RXH2 2/20 0.64
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 2/20 0.62
SIGMAR1 Q99720 1/20 0.58
HSP90AA1 P07900 1/20 0.57
ADRB1 P08588 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL1876940 0.88 RECQL (0.72) RECQLKCNJ1KCNH2ALDH1A1LMNA
SCHEMBL2384676 0.86 RECQL (0.70) RECQLKCNJ1KCNH2ALDH1A1LMNA
SCHEMBL3673014 0.85 SMN1; SMN2 (0.58) ALDH1A1LMNAKMT2APOLBMEN1
SCHEMBL2747017 0.84 KCNJ1 (0.73) RECQLKCNJ1KCNH2ALDH1A1LMNA
SCHEMBL4987745 0.84 RECQL (0.67) RECQLKCNJ1KCNH2ALDH1A1LMNA
SCHEMBL3649483 0.83 SIGMAR1 (0.64) RECQLKCNJ1KCNH2ALDH1A1LMNA
SCHEMBL3039451 0.80 KCNJ1 (0.53) RECQLKCNJ1KCNH2ALDH1A1LMNA
SCHEMBL6944079 0.80 DPP8 (0.52) RECQLKCNJ1KCNH2ALDH1A1LMNA
SCHEMBL5741299 0.79 KCNJ1 (0.67) RECQLKCNJ1KCNH2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5724126 0.79 KCNJ1 (0.52) RECQLKCNJ1KCNH2ALDH1A1LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1821236-B Therapeutic heterocyclic compounds ASTRAZENECA AB 2010-06-23 CN disclosed
CN-100509794-C Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2009-07-08 CN disclosed
CN-100460402-C Therapeutic benzopyranone compounds used as intermediates. ASTRAZENECA AB (SE) 2009-02-11 CN disclosed
CN-100384833-C Therapeutic chroman compounds ASTRAZENECA AB (SE) 2008-04-30 CN disclosed
CN-1821236-A Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-08-23 CN disclosed
CN-1740168-A Therapeutic benzopyranone compounds used as intermediates. ASTRAZENECA AB (SE) 2006-03-01 CN disclosed
CN-1610671-A Therapeutic quinoline compounds having 5-HT-antagonistic properties ASTRAZENECA AB (SE) 2005-04-27 CN disclosed
CN-1608054-A Therapeutic quinolone compounds having 5-HT-antagonistic properties ASTRAZENECA AB (SE) 2005-04-20 CN disclosed
CN-1592745-A Therapeutic chromone compounds ASTRAZENECA AB (SE) 2005-03-09 CN disclosed
CN-1527827-A Therapeutic heterocyclic compounds 2004-09-08 CN disclosed
EP-1451158-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES AstraZeneca AB (SE) 2004-09-01 EP disclosed
CN-1524077-A Therapeutic chroman compounds 2004-08-25 CN disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed