SCHEMBL11568441

SCHEMBL11568441

Cc1c(N[N+](=O)[O-])cc(F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PKM P14618 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL31065888 0.71 CYP1A2 (0.46) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL31065893 0.71 CYP1A2 (0.46) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL1781432 0.70 DHFR (0.37) RAPGEF4
SCHEMBL11046538 0.69 TSHR (0.30)
SCHEMBL944995 0.67 ALDH1A1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21373614 0.67 ALDH1A1 (0.44) LMNAMAPTHTTMEN1ALDH1A1
SCHEMBL4129959 0.67 KIF11 (0.41) LMNAMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL4063469 0.65 KMT2A (0.37) LMNAMAPTHTTMEN1ALDH1A1
SCHEMBL34476073 0.64 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1505782 0.64 TDP1 (0.45) MAPTALDH1A1SMN1; SMN2

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
EP-0003880-A1 Substituted phenylnitramines with plant growth regulating properties AMERICAN CYANAMID COMPANY (US) 1979-09-05 EP claimed
EP-0003880-A1 Substituted phenylnitramines with plant growth regulating properties AMERICAN CYANAMID COMPANY (US) 1979-09-05 EP disclosed