SCHEMBL9380314

SCHEMBL9380314

CS/C1=N\CCCCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.42
NOS1 P29475 5/20 0.42
NOS2 P35228 5/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 3/20 0.34
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.32
INMT O95050 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL7395015 0.97
Iodomethane SCHEMBL9434948 0.95 NOS3 (0.39) NOS3NOS1NOS2MEN1KMT2A
Iodide SCHEMBL4248459 0.95
SCHEMBL1669865 0.90
SCHEMBL13545400 0.68 LMNA (0.39) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL24971583 0.65 NOS3 (0.48) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL14441515 0.65 NOS3 (0.48) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL16489783 0.65
SCHEMBL12422425 0.65 NOS3 (0.48) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL10296536 0.65

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
EP-0355645-B1 Cyclic amidines and process for their preparation BAYER AG (DE) 1994-04-27 EP disclosed
EP-0355645-A2 Cyclic amidines and process for their preparation BAYER AG (DE) 1990-02-28 EP disclosed