SCHEMBL29110342

SCHEMBL29110342

CNc1c([N+](=O)[O-])c(=O)[nH]c2nc(C(F)(F)F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.46
GRIN3B O60391 3/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2B Q13224 3/20 0.46
GRIN2C Q14957 3/20 0.46
GRIN3A Q8TCU5 3/20 0.46
MAT2A P31153 5/20 0.37
AR P10275 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL30611292 1.00 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30611322 0.83 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29110302 0.83 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30611309 0.83 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29110290 0.83 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29110240 0.81 MAT2A (0.38) MAT2AARMEN1KMT2ABRD4
SCHEMBL30611257 0.81 MAT2A (0.38) MAT2AARMEN1KMT2ABRD4
SCHEMBL29110337 0.77 KIF11 (0.39) MAT2ABRD4ADORA2AADORA1POLB
SCHEMBL30611283 0.77 KIF11 (0.39) MAT2ABRD4ADORA2AADORA1POLB
SCHEMBL30499843 0.69 ALDH1A1 (0.41) MAT2AMEN1KMT2AADORA2AADORA1

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
CN-116903613-A 2-oxo quinazoline five-membered heterocyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-10-20 CN disclosed