SCHEMBL7789255

SCHEMBL7789255

C=CCCc1ccc(/C=N/N=C/c2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
CYP2A6 P11509 1/20 0.38
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7789258 1.00 MEN1 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL7791269 0.91 MEN1 (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL7791266 0.91 MEN1 (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL7793250 0.90 MEN1 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL7793254 0.90 MEN1 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL7789018 0.87 NPC1 (0.41) KMT2ACA12CA1CA2CA9
SCHEMBL2968409 0.87 KCNJ1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL8153254 0.87 NPC1 (0.41) KMT2ACA12CA1CA2CA9
SCHEMBL7789243 0.84 MEN1 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL7789241 0.84 MEN1 (0.50) MEN1KMT2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825176-B1 Azine derivative, process for the preparation thereof, nematic liquid crystal composition and liquid crystal display system comprising same DAINIPPON INK & CHEMICALS (JP) 2001-11-14 EP disclosed
US-6010642-A LIGHT SCATTERING LIQUID CRYSTAL DISPLAY DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-01-04 US disclosed
EP-0825176-A1 Azine derivative, process for the preparation thereof, nematic liquid crystal composition and liquid crystal display system comprising same DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-02-25 EP disclosed