SCHEMBL7789950

SCHEMBL7789950

C=CCOc1ccc(/C=N\N=C\c2ccc(C)cc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NFE2L2 Q16236 1/20 0.40
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
PDE4B Q07343 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 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
SCHEMBL7789951 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7788287 0.87 FLT3 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7788291 0.87 FLT3 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7783275 0.87 MEN1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7783272 0.87 MEN1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7791906 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7791909 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7792360 0.85 MEN1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7792365 0.85 MEN1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7789306 0.83 GRIN2D (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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