SCHEMBL7260852

SCHEMBL7260852

N=C(N)N=NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.47
GRIN1 Q05586 7/20 0.47
NOS2 P35228 2/20 0.47
IDO1 P14902 3/20 0.45
NOS1 P29475 3/20 0.45
NOS3 P29474 1/20 0.45
SIGMAR1 Q99720 3/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
HTR3A P46098 1/20 0.42

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
SCHEMBL7260847 1.00 GRIN2B (0.47) GRIN2BGRIN1NOS2IDO1NOS1
SCHEMBL6884429 0.78 GRIN2B (0.50) GRIN2BGRIN1NOS2IDO1NOS1
SCHEMBL15997183 0.78 GRIN2B (0.46) GRIN2BGRIN1NOS2IDO1NOS1
SCHEMBL19611522 0.74 ALDH1A1 (0.52) GRIN2BGRIN1NOS2IDO1SIGMAR1
SCHEMBL17178869 0.74 ALDH1A1 (0.52) GRIN2BGRIN1NOS2IDO1SIGMAR1
SCHEMBL15506263 0.74 ALDH1A1 (0.52) GRIN2BGRIN1NOS2IDO1SIGMAR1
SCHEMBL24061502 0.73 GRIN2B (0.50) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL7630047 0.71 NOS1 (0.57) GRIN2BGRIN1NOS2IDO1NOS1
SCHEMBL3338115 0.70 GRIN2B (0.45) GRIN2BGRIN1NOS2IDO1SIGMAR1
SCHEMBL7546087 0.70 GRIN2B (0.45) GRIN2BGRIN1NOS2IDO1SIGMAR1

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
US-6652600-B2 Oxidation color dye L'OREAL S.A. (FR) 2003-11-25 US disclosed