SCHEMBL23969716

SCHEMBL23969716

N/C=C\SCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
NOS1 P29475 2/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
PRMT1 Q99873 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AOC3 Q16853 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL8374192 0.85 MAOB (0.50) IDO1NOS1NOS3NOS2MAOB
SCHEMBL8374190 0.85 MAOB (0.50) IDO1NOS1NOS3NOS2MAOB
SCHEMBL8374191 0.85 MAOB (0.50) IDO1NOS1NOS3NOS2MAOB
SCHEMBL9217999 0.81 MAOB (0.46) IDO1NOS1NOS3NOS2MAOB
SCHEMBL9222324 0.81 MAOB (0.46) IDO1NOS1NOS3NOS2MAOB
SCHEMBL9217995 0.81 MAOB (0.46) IDO1NOS1NOS3NOS2MAOB
SCHEMBL12203818 0.77 MAOB (0.42) IDO1NOS1NOS3NOS2MAOB
SCHEMBL3669608 0.76 PAM (0.55) IDO1NOS1NOS3NOS2MAOB
SCHEMBL5974329 0.76 PAM (0.55) IDO1NOS1NOS3NOS2MAOB
SCHEMBL8541497 0.75 MAOB (0.50) IDO1NOS1NOS3NOS2MAOB

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-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed