SCHEMBL6603947

SCHEMBL6603947

O=C(O)CNC(=O)COc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.56
SCN7A Q01118 2/20 0.52
KCNH2 Q12809 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
NOTUM Q6P988 1/20 0.44
HTT P42858 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43

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
SCHEMBL1495919 0.87 MEN1 (0.66) KDM4CMEN1KMT2AMAPTKDM4E
Benzene SCHEMBL6364361 0.87 MEN1 (0.66) KDM4CMEN1KMT2AMAPTKDM4E
SCHEMBL6608978 0.85 KMT2A (0.65) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL6605120 0.83 ALDH1A1 (0.53) SCN7AKCNH2MEN1KMT2AL3MBTL1
SCHEMBL6567209 0.80 KDM4C (0.58) KDM4CMEN1KMT2AL3MBTL1MAPT
SCHEMBL6603038 0.77 CYSLTR2 (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6608386 0.76 KDM4E (0.52) SCN7AKCNH2MEN1KMT2AMAPT
SCHEMBL5573093 0.75 KMT2A (0.75) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7821754 0.74 ALOX15 (0.68) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL14402628 0.73 KMT2A (0.71) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO disclosed