SCHEMBL7006926

SCHEMBL7006926

CCCCCCC(=O)Nc1c(C#N)ncn1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.46
RAB9A P51151 2/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ENPP2 Q13822 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
XDH P47989 1/20 0.39
CETP P11597 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL7005257 0.86 DEGS1 (0.47) DEGS1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL7001501 0.85 EPHX2 (0.46) DEGS1ALDH1A1TSHRPOLBSPHK2
SCHEMBL7002343 0.85 EPHX2 (0.46) DEGS1ALDH1A1TSHRPOLBSPHK2
SCHEMBL6995177 0.85 EPHX2 (0.46) DEGS1ALDH1A1TSHRPOLBSPHK2
SCHEMBL7002759 0.83 TSHR (0.44) DEGS1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL6998288 0.82 XDH (0.44) DEGS1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL7002481 0.80 TSHR (0.48) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL7827505 0.73 XDH (0.45) DEGS1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL7003410 0.71 HDAC1 (0.48) TSHRPOLBSPHK2SPHK1ENPP2
SCHEMBL20777973 0.70 PGR (0.65) RAB9ALMNASMN1; SMN2HPGDNPC1

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