SCHEMBL6364172

SCHEMBL6364172

COC(=O)c1nc2ccccc2c(O)c1C(=O)Oc1c([N+](=O)[O-])c(C(=O)OC)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NCEH1 Q6PIU2 1/20 0.37
EGFR P00533 1/20 0.36
RNASEH1 O60930 1/20 0.36
S100A4 P26447 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
TSHR P16473 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35

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 0.82 MEN1 (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6604573 0.81 MEN1 (0.41) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8574119 0.72 ELANE (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30659835 0.71 MAPT (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL28958009 0.71 MEN1 (0.63) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL26674806 0.70 KDM4E (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30641227 0.70 KDM4E (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6079707 0.70 KDM4E (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL28548662 0.69 S100A4 (0.50) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL28342069 0.68 KDM4E (0.54) MAPTMEN1KMT2AKDM4EALDH1A1

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-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed
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