SCHEMBL9425907

SCHEMBL9425907

CSC(=NC#N)Nc1cnccc1N

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC3 O15379 2/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL9425905 1.00 GAA (0.31) GAAKDM4EALDH1A1GLAHDAC1
SCHEMBL22147348 0.77 CYP3A4 (0.41) GAAKDM4EALDH1A1GLA
SCHEMBL161843 0.77 CYP3A4 (0.41) GAAKDM4EALDH1A1GLA
SCHEMBL161844 0.77 CYP3A4 (0.41) GAAKDM4EALDH1A1GLA
SCHEMBL162151 0.74 LMNA (0.52) GAAKDM4EALDH1A1
SCHEMBL162150 0.74 LMNA (0.52) GAAKDM4EALDH1A1
SCHEMBL13106903 0.69 RAF1 (0.42) GAAKDM4EALDH1A1
SCHEMBL9425909 0.69 SMN1; SMN2 (0.44) GAAKDM4EALDH1A1GLA
SCHEMBL9426597 0.69 GAA (0.42) GAAKDM4EALDH1A1HDAC1HDAC2
SCHEMBL9426603 0.69 GAA (0.42) GAAKDM4EALDH1A1HDAC1HDAC2

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
US-5371086-A Circulatory disorders side effect reduction THE GREEN CROSS CORPORATION (JP) 1994-12-06 US 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