SCHEMBL7783349

SCHEMBL7783349

COc1ccc(/C=N/N=C\c2cc(F)c(OC(F)(F)F)c(F)c2)cc1.Cc1ccc(/C=N/N=C/c2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RELA Q04206 1/20 0.38
MIF P14174 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7783351 1.00 CYP11B1 (0.40) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL7788491 0.87 CYP11B1 (0.50) CYP11B1CYP11B2MIFGRIN2DGRIN3B
SCHEMBL7788488 0.87 CYP11B1 (0.50) CYP11B1CYP11B2MIFGRIN2DGRIN3B
SCHEMBL8148142 0.87 GRIN2D (0.45) ALDH1A1RELAMIFGRIN2DGRIN3B
SCHEMBL8148138 0.87 GRIN2D (0.45) ALDH1A1RELAMIFGRIN2DGRIN3B
SCHEMBL7792278 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1GRIN2D
SCHEMBL7792274 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1GRIN2D
SCHEMBL8604005 0.83 NPC1 (0.55) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL8154205 0.83 NPC1 (0.55) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL7791484 0.77 MAPT (0.44) MIFGRIN2DGRIN3BGRIN1GRIN2A

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 1 patent. 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