SCHEMBL6664264

SCHEMBL6664264

CCCC=CN(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
CRHBP P24387 1/20 0.31

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
SCHEMBL4474815 0.85 SOAT2 (0.44) ALDH1A1TSHRKDM4ECYP3A4TDP1
SCHEMBL4468762 0.85 SOAT2 (0.44) ALDH1A1TSHRKDM4ECYP3A4TDP1
SCHEMBL4474820 0.85 SOAT2 (0.44) ALDH1A1TSHRKDM4ECYP3A4TDP1
SCHEMBL4468500 0.85 SOAT2 (0.44) ALDH1A1TSHRKDM4ECYP3A4TDP1
SCHEMBL4468496 0.85 SOAT2 (0.44) ALDH1A1TSHRKDM4ECYP3A4TDP1
SCHEMBL4468757 0.85 SOAT2 (0.44) ALDH1A1TSHRKDM4ECYP3A4TDP1
SCHEMBL6662115 0.83 ALDH1A1 (0.38) ALDH1A1TSHRGLATP53MAPT
SCHEMBL9193487 0.80 TSHR (0.37) TLR8ALDH1A1TSHRGLATP53
SCHEMBL9193492 0.80 TSHR (0.37) TLR8ALDH1A1TSHRGLATP53
SCHEMBL21995198 0.78 ALDH1A1 (0.38) ALDH1A1TSHRGLATP53MAPT

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
EP-0877028-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEM IND CO (JP) 2004-08-25 EP disclosed
US-6084123-A REACTING AN IMINE WITH A PHOSPHONIC ACID ESTER USING AN ASYMMETRIC CATALYST OF A RARE EARTH METAL/ALKALI METAL-BINAPHTHOL COMPLEX; HYDROGENATION AND ACIDOLYSIS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-07-04 US disclosed
EP-0877028-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1998-11-11 EP disclosed