SCHEMBL7001501

SCHEMBL7001501

CCCCCCC(=O)Nc1c(C#N)ncn1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
SOAT1 P35610 4/20 0.43
SOAT2 O75908 2/20 0.43
DEGS1 O15121 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL7002343 1.00 EPHX2 (0.46) EPHX2HDAC1HDAC2MEN1KMT2A
SCHEMBL6995177 1.00 EPHX2 (0.46) EPHX2HDAC1HDAC2MEN1KMT2A
SCHEMBL7002759 0.99 TSHR (0.44) EPHX2HDAC1HDAC2MEN1KMT2A
SCHEMBL7002481 0.96 TSHR (0.48) EPHX2HDAC1HDAC2TSHRPOLB
SCHEMBL7003613 0.91 ADORA1 (0.46) TSHRALDH1A1
SCHEMBL7001057 0.86 FGFR1 (0.46) MEN1KMT2ATSHRALDH1A1
SCHEMBL7006926 0.85 DEGS1 (0.46) TSHRPOLBSOAT1SOAT2DEGS1
SCHEMBL7003410 0.85 HDAC1 (0.48) EPHX2HDAC1HDAC2MEN1KMT2A
SCHEMBL7005257 0.79 DEGS1 (0.47) KMT2ATSHRPOLBSOAT1SOAT2
SCHEMBL7003709 0.78 ALDH1A1 (0.49) HDAC1HDAC2TSHRALDH1A1

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