SCHEMBL10339459

SCHEMBL10339459

Nc1nc(/C=C/c2cccnc2)nc(NC(=O)c2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 2/20 0.54
HDAC1 Q13547 4/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
NAMPT P43490 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM4 Q14833 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL10339461 1.00 SMN1; SMN2 (0.54) SMN1; SMN2MAPTHDAC1HDAC3HDAC2
SCHEMBL11591085 0.86 HDAC1 (0.60) SMN1; SMN2HDAC1HDAC3HDAC2LMNA
SCHEMBL11591466 0.86 HDAC1 (0.60) SMN1; SMN2HDAC1HDAC3HDAC2LMNA
SCHEMBL10483511 0.80 HDAC1 (0.53) SMN1; SMN2HDAC1HDAC3HDAC2LMNA
SCHEMBL11591966 0.78 LMNA (0.69) SMN1; SMN2HDAC1HDAC3HDAC2LMNA
SCHEMBL8413034 0.78 HDAC1 (0.56) SMN1; SMN2HDAC1HDAC3HDAC2LMNA
SCHEMBL10483317 0.77 HDAC1 (0.56) SMN1; SMN2HDAC1HDAC3HDAC2LMNA
SCHEMBL11593266 0.77 HDAC1 (0.50) SMN1; SMN2MAPTHDAC1HDAC3HDAC2
SCHEMBL10339460 0.75 HDAC1 (0.43) SMN1; SMN2MAPTHDAC1HDAC3HDAC2
SCHEMBL9566457 0.75 SMN1; SMN2 (0.55) SMN1; SMN2MAPTHDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2223566-A None JP disclosed
JP-H02223566-A 2-AMINO-1,3,5-TRIAZINE DERIVATIVE AND ANTIULCER AGENT CONTAINING THE SAME DERIVATIVE AS ACTIVE INGREDIENT TSUMURA & CO 1990-09-05 JP disclosed