SCHEMBL8554372

SCHEMBL8554372

CCCCc1nn(-c2ccccc2)c(N)c1C#N

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.75
MAPT P10636 8/20 0.53
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GRK6 P43250 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL13860443 0.86 GAA (1.00) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL8555328 0.83 GAA (0.69) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL1063608 0.80 MAPT (0.74) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL8556236 0.78 GAA (0.71) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL8555695 0.78 GAA (0.65) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL2546236 0.76 GAA (0.68) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6205515 0.76 GAA (0.56) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL31194507 0.75 GAA (0.40) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL11546523 0.75 GAA (0.65) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL7359402 0.74 GAA (0.60) GAAMAPTLMNAKMT2ASMN1; 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 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