SCHEMBL7002759

SCHEMBL7002759

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SOAT1 P35610 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DEGS1 O15121 1/20 0.41
▸ SOAT2 O75908 1/20 0.41
▸ SPHK2 Q9NRA0 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
SCHEMBL6995177 0.99 EPHX2 (0.46) TSHRHDAC1HDAC2EPHX2MEN1
SCHEMBL7001501 0.99 EPHX2 (0.46) TSHRHDAC1HDAC2EPHX2MEN1
SCHEMBL7002343 0.99 EPHX2 (0.46) TSHRHDAC1HDAC2EPHX2MEN1
SCHEMBL7002481 0.97 TSHR (0.48) TSHRHDAC1HDAC2EPHX2NPC1
SCHEMBL7003613 0.92 ADORA1 (0.46) TSHRNPC1SMN1; SMN2MITFHTT
SCHEMBL7001057 0.87 FGFR1 (0.46) TSHRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7006926 0.83 DEGS1 (0.46) TSHRNPC1SMN1; SMN2POLBALDH1A1
SCHEMBL7003410 0.83 HDAC1 (0.48) TSHRHDAC1HDAC2EPHX2MEN1
SCHEMBL6998299 0.82 GAA (0.45) TSHRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7003709 0.79 ALDH1A1 (0.49) TSHRHDAC1HDAC2NPC1SMN1; SMN2

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
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