SCHEMBL30880779

SCHEMBL30880779

O=C(NCC1CCCO1)c1cnccn1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
MAPT P10636 1/20 0.69
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.55
HPGD P15428 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
ATM Q13315 1/20 0.52
NAMPT P43490 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MCL1 Q07820 1/20 0.51
ROCK2 O75116 1/20 0.51

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
SCHEMBL30880768 0.96 POLB (0.64) POLBMAPTKMT2AMEN1HTT
SCHEMBL21722478 0.93 POLB (0.59) POLBMAPTKMT2AMEN1HTT
SCHEMBL30880764 0.93 POLB (0.59) POLBMAPTKMT2AMEN1HTT
SCHEMBL22640162 0.83 HDAC1 (0.57) POLBMAPTKMT2AMEN1HTT
SCHEMBL22640177 0.83 HDAC1 (0.57) POLBMAPTKMT2AMEN1HTT
SCHEMBL3675630 0.82 POLB (1.00) POLBMAPTKMT2AMEN1HTT
SCHEMBL13729596 0.81 POLB (0.71) POLBMAPTKMT2AMEN1HTT
SCHEMBL30880761 0.80 LMNA (0.52) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL30880731 0.78 NAMPT (0.50) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL23553433 0.78 POLB (0.67) POLBMAPTKMT2AMEN1HTT

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
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed