SCHEMBL8932568

SCHEMBL8932568

SC(S)=Nc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.58
NOS1 P29475 3/20 0.44
NOS3 P29474 2/20 0.44
NOS2 P35228 2/20 0.44
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNA1 Q09470 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 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
SCHEMBL1703486 0.80 PLG (0.67) PLGNOS1NOS3NOS2LMNA
SCHEMBL164098 0.74 PLG (1.00) PLGNOS1NOS3NOS2CYP2D6
Hydrochloric Acid SCHEMBL11099753 0.72 PLG (0.95) PLGNOS1NOS3NOS2CYP2D6
SCHEMBL6947266 0.71 PLG (0.44) PLGNOS1NOS3NOS2LMNA
SCHEMBL8932511 0.70 PLG (0.54) PLGNOS1NOS3NOS2LMNA
SCHEMBL48868 0.69 PLG (0.52) PLGNOS1NOS3NOS2LMNA
SCHEMBL17107788 0.69 PLG (0.52) PLGNOS1NOS3NOS2ALDH1A1
SCHEMBL17107786 0.69 PLG (0.52) PLGNOS1NOS3NOS2ALDH1A1
SCHEMBL9668481 0.69 PLG (0.52) PLGNOS1NOS3NOS2LMNA
SCHEMBL8546705 0.68 SLC22A2 (0.58) NOS1NOS3NOS2MAPTMEN1

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
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed