SCHEMBL7345941

SCHEMBL7345941

CCc1nc(-n2ccnc2)ncc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.44
GRIA2 P42262 4/20 0.44
GRIA3 P42263 4/20 0.44
GRIA4 P48058 4/20 0.44
MAPT P10636 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK4 Q16099 1/20 0.40
GRIK5 Q16478 1/20 0.40
PDE5A O76074 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
SCHEMBL7346517 0.76 TSHR (0.39) MAPT
SCHEMBL29495188 0.71 MAPT (0.52) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL7350399 0.70 LMNA (0.41) MAPT
SCHEMBL8083071 0.69 MAPT (0.40) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL19453500 0.69 LOXL2 (0.42)
SCHEMBL29495251 0.69 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL29495273 0.69 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL29495158 0.67 MAPT (0.44) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL10066486 0.67 GRIK1 (0.52) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL27850446 0.64 GAA (0.46)

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-5318975-A 5-pyrimdineamine derivatives BERLEX LABORATORIES, INC. (US) 1994-06-07 US disclosed