SCHEMBL6604573

SCHEMBL6604573

CCc1c(C(=O)OC)nc2ccccc2c1OC(=O)c1c(C(=O)OC)nc2ccccc2c1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 9/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RNASEH1 O60930 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
TACR2 P21452 1/20 0.36
TACR3 P29371 1/20 0.36

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
SCHEMBL8569494 0.83 MEN1 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6364172 0.81 MAPT (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6606037 0.73 KMT2A (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8574923 0.72 CA12 (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28958009 0.72 MEN1 (0.63) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30641227 0.71 KDM4E (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL26674806 0.71 KDM4E (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6079707 0.71 KDM4E (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2809797 0.70 ALDH1A1 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28797295 0.69 KDM4E (0.53) MEN1KMT2AMAPTKDM4EALDH1A1

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