SCHEMBL7003410

SCHEMBL7003410

CCCCCCC(=O)Nc1ncn(Cc2ccccc2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
EPHX2 P34913 1/20 0.46
SOAT1 P35610 5/20 0.46
SOAT2 O75908 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ENPP2 Q13822 1/20 0.45
DGAT2 Q96PD7 1/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL6998288 0.85 XDH (0.44) SOAT1SOAT2ENPP2DGAT2TSHR
SCHEMBL7002343 0.85 EPHX2 (0.46) HDAC1HDAC2EPHX2SOAT1SOAT2
SCHEMBL6995177 0.85 EPHX2 (0.46) HDAC1HDAC2EPHX2SOAT1SOAT2
SCHEMBL7001501 0.85 EPHX2 (0.46) HDAC1HDAC2EPHX2SOAT1SOAT2
SCHEMBL7002759 0.83 TSHR (0.44) HDAC1HDAC2EPHX2SOAT1SOAT2
SCHEMBL7987935 0.81 XDH (0.47) HDAC1HDAC2EPHX2SOAT1SOAT2
SCHEMBL7002481 0.80 TSHR (0.48) HDAC1HDAC2EPHX2TSHRPOLB
SCHEMBL7827505 0.79 XDH (0.45) SOAT1SOAT2KMT2ATSHRPOLB
SCHEMBL7991550 0.78 GAA (0.45) HDAC1HDAC2EPHX2TSHRPOLB
SCHEMBL7003613 0.75 ADORA1 (0.46) TSHR

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-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP disclosed