SCHEMBL9814307

SCHEMBL9814307

N#[N+]c1ccccc1C(F)(F)F.OB(O)F.OB(O)F.OB(O)F.OB(O)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
NFKB1 P19838 1/20 0.33
TRPV6 Q9H1D0 1/20 0.32
HTR2C P28335 2/20 0.32
CA2 P00918 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
Hydrochloric Acid SCHEMBL9659775 0.92 ALDH1A1 (0.42) ALDH1A1POLBTDP1L3MBTL1IDO1
SCHEMBL261312 0.90 ALDH1A1 (0.39) ALDH1A1POLBTDP1L3MBTL1IDO1
Hydrochloric Acid SCHEMBL18936435 0.88 ALDH1A1 (0.38) ALDH1A1POLBTDP1L3MBTL1IDO1
Fluoride Ion SCHEMBL11774111 0.88 ALDH1A1 (0.38) ALDH1A1POLBTDP1L3MBTL1IDO1
SCHEMBL260225 0.84 LMNA (0.36) ALDH1A1POLBTDP1L3MBTL1IDO1
Hydrochloric Acid SCHEMBL7120447 0.71 ALDH1A1 (0.42) ALDH1A1POLBTDP1L3MBTL1IDO1
SCHEMBL22028677 0.69 TDP1 (0.44) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL3663843 0.69 ALDH1A1 (0.39) ALDH1A1POLBTDP1L3MBTL1IDO1
SCHEMBL11526486 0.67 TAS2R14 (0.38)
SCHEMBL5573854 0.67 ALDH1A1 (0.39) ALDH1A1TDP1GRIN2DGRIN3BGRIN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160239-B1 TEST PIECE FOR DETECTING BILIRUBIN TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1991-08-14 EP claimed
EP-0160239-A2 Test piece for detecting bilirubin TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-11-06 EP claimed
JP-60233559-A None JP disclosed
EP-0160239-B1 TEST PIECE FOR DETECTING BILIRUBIN TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1991-08-14 EP disclosed
JP-S60233559-A TEST PIECE TERUMO CORP 1985-11-20 JP disclosed
EP-0160239-A2 Test piece for detecting bilirubin TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-11-06 EP disclosed