SCHEMBL31261978

SCHEMBL31261978

Cc1ncc(F)c(C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
DAO P14920 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 2/20 0.34
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12510901 1.00 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31539766 0.85 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9455922 0.85 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2086204 0.81 MAPT (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31539746 0.81 MAPT (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25394055 0.81 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25394814 0.81 ALDH1A1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12528134 0.81 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31539778 0.79 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31539702 0.79 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
WO-2025052129-A1 PYRIDINE DERIVATIVES WHICH ACT AS INHIBITORS OF MPTP. NRG THERAPEUTICS LTD (GB) 2025-03-13 WO disclosed
CN-118804911-A Acrylamide compound NRG治疗有限公司 2024-10-18 CN disclosed