SCHEMBL8311529

SCHEMBL8311529

N#Cc1c(I)cc(I)c([N+](=O)[O-])c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.42
VCAM1 P19320 5/20 0.39
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
TDP1 Q9NUW8 2/20 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
SCHEMBL31456573 0.75 VCAM1 (0.39) VCAM1LMNAMAPTALDH1A1TSHR
SCHEMBL28440655 0.75 VCAM1 (0.39) VCAM1LMNAMAPTALDH1A1TSHR
SCHEMBL8310906 0.72 VCAM1 (0.39) VCAM1MAPTALDH1A1TSHRNPSR1
SCHEMBL10879384 0.71 VCAM1 (0.47) XDHVCAM1MEN1LMNAHTT
SCHEMBL2466317 0.71 VCAM1 (0.40) XDHVCAM1MEN1LMNAHTT
SCHEMBL8314510 0.70 VCAM1 (0.45) VCAM1MEN1KMT2AMAPTALDH1A1
SCHEMBL27919616 0.69 VCAM1 (0.46) XDHVCAM1MEN1HTTKMT2A
SCHEMBL1905941 0.66 MEN1 (0.50) MEN1LMNAHTTKMT2AALDH1A1
SCHEMBL8627794 0.65 VCAM1 (0.50) VCAM1LMNAHTTMAPTALDH1A1
SCHEMBL2415689 0.65 TDP1 (0.45) VCAM1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519423-B1 Phthalocyanine compounds and usage thereof MITSUI CHEMICALS INC (JP) 1999-03-03 EP disclosed
US-5695911-A CONTAINING PHTHALOCYANINE COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-12-09 US disclosed
US-5380842-A Color filters MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-10 US disclosed
EP-0519423-A2 Phthalocyanine compounds and usage thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-23 EP disclosed