SCHEMBL8555328

SCHEMBL8555328

CN(C)CCc1nn(-c2ccccc2)c(N)c1C#N

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
MAPT P10636 6/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.42
KDM4E B2RXH2 5/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.36

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
SCHEMBL8554372 0.83 GAA (0.75) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL13860443 0.82 GAA (1.00) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL1063608 0.79 MAPT (0.74) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL8556236 0.77 GAA (0.71) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL2546236 0.75 GAA (0.68) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL11546523 0.74 GAA (0.65) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL8550425 0.73 NPC1 (0.39) GAALMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL8555695 0.72 GAA (0.65) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL3994806 0.71 GAA (0.61) GAAMAPTLMNASMN1; SMN2MEN1
SCHEMBL2743087 0.71 GAA (0.61) GAAMAPTLMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed