SCHEMBL11196152

SCHEMBL11196152

Cc1cccnc1C(N)CS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
PLAU P00749 1/20 0.37
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN4A P35499 6/20 0.34
LMNA P02545 3/20 0.34
CYP2D6 P10635 2/20 0.34
KCNH2 Q12809 2/20 0.34
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
KCNK3 O14649 1/20 0.34
CACNA1F O60840 1/20 0.34

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
SCHEMBL17616530 0.77 SCN4A (0.46) NOS3NOS1NOS2SCN4ACYP2D6
SCHEMBL2084135 0.76 NOS3 (0.50) NOS3NOS1NOS2PLAUMAPT
SCHEMBL20482609 0.76 NOS3 (0.50) NOS3NOS1NOS2PLAUMAPT
SCHEMBL23747533 0.76 NOS3 (0.50) NOS3NOS1NOS2PLAUMAPT
SCHEMBL30140878 0.76 NOS3 (0.50) NOS3NOS1NOS2PLAUMAPT
SCHEMBL7799009 0.76 CTSA (0.43) NOS3NOS1NOS2PLAUMAPT
Hydrochloric Acid SCHEMBL31323003 0.75 NOS3 (0.48) NOS3NOS1NOS2PLAUMAPT
Hydrochloric Acid SCHEMBL26644100 0.75 NOS3 (0.48) NOS3NOS1NOS2PLAUMAPT
SCHEMBL827728 0.73 NOS3 (0.50) NOS3NOS1NOS2PLAUMAPT
SCHEMBL24631598 0.72 NOS3 (0.45) NOS3NOS1NOS2PLAUMAPT

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-0093915-A1 Novel beta-lactam derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-11-16 EP disclosed