SCHEMBL9705273

SCHEMBL9705273

N#Cc1cc(F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.41
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ TRPV4 Q9HBA0 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GRIA1 P42261 2/20 0.37
▸ GRIA2 P42262 2/20 0.37
▸ GRIA3 P42263 2/20 0.37
▸ GRIA4 P48058 2/20 0.37
▸ GRM6 O15303 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ POLB P06746 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
SCHEMBL23137518 0.84 VCAM1 (0.46) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL56482 0.78 VCAM1 (0.41) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26626652 0.77 GRIN2D (0.44) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30168968 0.76 TDP1 (0.39) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL345622 0.76 TDP1 (0.39) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18894107 0.75 VCAM1 (0.47) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
Potassium Ion SCHEMBL5156009 0.75 GRIN2D (0.39) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31321220 0.75 VCAM1 (0.47) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25252333 0.75 GPR35 (0.41) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL670932 0.74 VCAM1 (0.50) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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-0506907-A1 HETEROCYCLIC DIONE DERIVATIVES AS PESTICIDES AND PLANT GROWTH REGULATORS SANDOZ-ERFINDUNGEN Verwaltungsgesellschaft m.b.H. (AT) 1992-10-07 — — EP disclosed
WO-1992007837-A1 HETEROCYCLIC DIONE DERIVATIVES AS PESTICIDES AND PLANT GROWTH REGULATORS SANDOZ LTD. (CH) 1992-05-14 — — WO disclosed
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