SCHEMBL6629949

SCHEMBL6629949

O=C(O)COc1cc2ccccc2nc1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PTPN7 P35236 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.46
ACACA Q13085 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.44
STAT3 P40763 1/20 0.43
HTT P42858 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
SCHEMBL4305063 0.80 ALDH1A1 (0.45) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL24983146 0.77 MEN1 (0.58) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL11195862 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL16294924 0.75 KDM4E (0.51) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL6566120 0.74 HTT (0.59) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28310888 0.73 TLR8 (0.68) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL14273081 0.73 PTPN7 (0.63) KDM4EMEN1KMT2APTPN7SMN1; SMN2
SCHEMBL10610248 0.73 ACACA (0.67) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL1495919 0.72 MEN1 (0.66) KDM4EALDH1A1HPGDTDP1MEN1
Benzene SCHEMBL6364361 0.72 MEN1 (0.66) KDM4EALDH1A1HPGDTDP1MEN1

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