SCHEMBL3500770

SCHEMBL3500770

Nc1cccc2c1C(=O)C(c1ccccc1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPK1 P28482 1/20 0.64
HTR2B P41595 1/20 0.64
ADORA2A P29274 2/20 0.48
PTPRC P08575 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HSPA1A P0DMV8 1/20 0.46
PABPC1 P11940 1/20 0.46
MAOA P21397 2/20 0.44

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
SCHEMBL13348314 0.84 MAPT (0.53) TP53MAPTLMNACYP1A2CYP3A4
SCHEMBL10623023 0.81 MAPT (0.64) TP53MAPTLMNACYP1A2CYP3A4
SCHEMBL14940489 0.81 MAPT (0.64) TP53MAPTLMNACYP1A2CYP3A4
SCHEMBL14939009 0.80 MAPT (0.62) TP53MAPTLMNACYP1A2CYP3A4
SCHEMBL14939430 0.80 MAPT (0.62) TP53MAPTLMNACYP1A2CYP3A4
Phenindione SCHEMBL29388073 0.80 MAPT (1.00) TP53MAPTLMNACYP1A2CYP3A4
Phenindione SCHEMBL33831 0.80 MAPT (1.00) TP53MAPTLMNACYP1A2CYP3A4
SCHEMBL10559114 0.78 MAPT (0.95) TP53MAPTLMNACYP1A2CYP3A4
Phenindione SCHEMBL1443973 0.78 MAPT (0.95) TP53MAPTLMNACYP1A2CYP3A4
Phenindione SCHEMBL6827577 0.78 MAPT (0.95) TP53MAPTLMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100133117-A1 METHODS FOR ELECTROCHEMICAL DETECTION/QUANTIFICATION OF A NUCLEIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed
WO-2008097190-A1 METHODS OF ELECTRICALLY DETECTING A NUCLEIC ACID BY MEANS OF AN ELECTRODE PAIR AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-08-14 WO disclosed
WO-2008018833-A1 METHODS FOR ELECTROCHEMICAL DETECTION/QUANTIFICATION OF A NUCLEIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-02-14 WO disclosed