SCHEMBL7793574

SCHEMBL7793574

C=CCCCCc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GRIN2D O15399 3/20 0.42
GRIN3B O60391 3/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN2C Q14957 3/20 0.42
GRIN3A Q8TCU5 3/20 0.42
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
IGF1R P08069 1/20 0.39

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
SCHEMBL7793576 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7783385 0.95 NPC1 (0.55) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7783388 0.95 NPC1 (0.55) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7789052 0.92 GRIN2D (0.44) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7789049 0.92 GRIN2D (0.44) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7788629 0.89 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7788626 0.89 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7788735 0.88 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7791274 0.88 GRIN2D (0.46) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7791279 0.88 GRIN2D (0.46) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B

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 2 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
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