SCHEMBL6996532

SCHEMBL6996532

CCCCCC(=O)Nc1nc[nH]c1C#N

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DEGS1 O15121 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
GSK3B P49841 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6996417 0.99 XDH (0.62) XDHSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL7001027 0.99 XDH (0.62) XDHSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6999626 0.99 XDH (0.62) XDHSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL10821714 0.96 XDH (0.58) XDHSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6999635 0.90 XDH (0.50) XDHALDH1A1GSK3B
SCHEMBL7001612 0.84 XDH (0.43) XDHSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6334335 0.76 GABRR1 (0.36) XDHSMN1; SMN2ALDH1A1L3MBTL1GSK3B
SCHEMBL1713153 0.75 CTSL (0.42) XDHSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6999473 0.74 SPHK2 (0.47) XDHSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2623138 0.74 XDH (0.62) XDHSMN1; SMN2ALDH1A1LMNAHPGD

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