SCHEMBL9425909

SCHEMBL9425909

CSC(=Nc1cnccc1N)NC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 6/20 0.34
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 2/20 0.33
CYP1A2 P05177 2/20 0.33
ABCC9 O60706 2/20 0.33
KCNJ11 Q14654 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 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
SCHEMBL1309528 0.76 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CYP3A4HSD17B10GLA
SCHEMBL7978023 0.76 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CYP3A4HSD17B10GLA
SCHEMBL11168013 0.74 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1CYP3A4CYP1A2ABCC9
SCHEMBL9425907 0.69 GAA (0.31) ALDH1A1GLAGAAKDM4E
SCHEMBL9425905 0.69 GAA (0.31) ALDH1A1GLAGAAKDM4E
SCHEMBL9426610 0.69 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL7979663 0.67 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPT
SCHEMBL7979665 0.67 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPT
SCHEMBL3287569 0.66 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3287572 0.66 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19

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