SCHEMBL9408950

SCHEMBL9408950

C=CCNC(=N)N(C#N)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
PTBP1 P26599 1/20 0.38
OPRK1 P41145 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC2A1 P11166 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
LMNA P02545 2/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL504447 0.72 LMNA (0.36) HTTRAB9AOPRK1CYP2D6CYP2C19
SCHEMBL8196334 0.72 CYP2D6 (0.36) SMN1; SMN2ALDH1A1HTTKDM4ERAB9A
SCHEMBL10852706 0.70 ALOX5 (0.40) SMN1; SMN2ALDH1A1HTTKDM4ERAB9A
SCHEMBL11177903 0.69 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1HTTKDM4ERAB9A
SCHEMBL11088915 0.66 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HTTKDM4ERAB9A
SCHEMBL7959200 0.65 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HTTKDM4ERAB9A
SCHEMBL7959203 0.65 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HTTKDM4ERAB9A
SCHEMBL7131909 0.63 IMPDH2 (0.40) SMN1; SMN2ALDH1A1HTTKDM4ERAB9A
SCHEMBL2827514 0.63 GAA (0.41) SMN1; SMN2ALDH1A1HTTKDM4ERAB9A
SCHEMBL7131905 0.63 IMPDH2 (0.40) SMN1; SMN2ALDH1A1HTTKDM4ERAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371086-A Circulatory disorders side effect reduction THE GREEN CROSS CORPORATION (JP) 1994-12-06 US disclosed
EP-0609518-A1 Optically active aminopyridine derivative and use thereof THE GREEN CROSS CORPORATION (JP) 1994-08-10 EP disclosed
US-5262415-A FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM THE GREEN CROSS CORPORATION (JP) 1993-11-16 US disclosed
EP-0503627-A1 Aminopyridine compounds THE GREEN CROSS CORPORATION (JP) 1992-09-16 EP disclosed