SCHEMBL6604313

SCHEMBL6604313

CN(C)C(=O)COc1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 1/20 0.46
ALOX5 P09917 2/20 0.45
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
PRNP P04156 1/20 0.42
NOTUM Q6P988 1/20 0.41
NCF1 P14598 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE10A Q9Y233 2/20 0.41
CNR2 P34972 2/20 0.40

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
SCHEMBL6603936 0.87 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1495919 0.81 MEN1 (0.66) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
Benzene SCHEMBL6364361 0.81 MEN1 (0.66) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6601697 0.81 ALDH1A1 (0.70) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6603038 0.80 CYSLTR2 (0.54) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
Acetone SCHEMBL27714910 0.80 KMT2A (0.49) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6608386 0.80 KDM4E (0.52) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
Hydrogen Peroxide SCHEMBL28177611 0.77 MAPT (0.53) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL887723 0.77 MAPT (0.56) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL9926454 0.74 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ERAB9A

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 4 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 claimed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO claimed
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