SCHEMBL29589136

SCHEMBL29589136

N=C(N)Nc1cccc(C[C@@H](N)C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.70
NOS1 P29475 3/20 0.70
NOS2 P35228 3/20 0.70
SLC7A5 Q01650 8/20 0.54
PTGS1 P23219 2/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
XIAP P98170 1/20 0.54
GRIA2 P42262 1/20 0.52
CASR P41180 1/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
HTR2A P28223 1/20 0.48
PTGS2 P35354 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL288850 1.00 NOS3 (0.70) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL287831 1.00 NOS3 (0.70) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL7260682 1.00 NOS3 (0.70) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL20715034 0.89 NOS3 (0.59) NOS3NOS1NOS2SLC7A5GRIA2
SCHEMBL6046229 0.87 NOS3 (0.71) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL4629196 0.86 NOS3 (0.53) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL3152192 0.85 NOS3 (0.73) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL20502934 0.85 NOS3 (0.73) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL20502933 0.85 NOS3 (0.73) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL8075751 0.83 NOS3 (0.50) NOS3NOS1NOS2CASRITGB3

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-3981784-A1 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2022-04-13 EP disclosed