SCHEMBL8554722

SCHEMBL8554722

CCCCCCc1ccc2nc(-c3ccc(C4CCC(CCCCC)CC4)cc3)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
SPHK2 Q9NRA0 7/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
APP P05067 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL8554717 1.00 SPHK1 (0.46) SPHK1SPHK2GAAMAPTAPP
SCHEMBL9270748 0.87 APP (0.49) GAAMAPTAPPKDM4ENPC1
SCHEMBL9270753 0.87 APP (0.49) GAAMAPTAPPKDM4ENPC1
SCHEMBL8554126 0.84 MAPT (0.41) SPHK1GAAMAPT
SCHEMBL8554123 0.84 MAPT (0.41) SPHK1GAAMAPT
SCHEMBL8554845 0.82 APP (0.51) GAAMAPTAPPKDM4ENPC1
SCHEMBL8553099 0.82 APP (0.51) GAAMAPTAPPKDM4ENPC1
SCHEMBL5946763 0.82 APP (0.51) GAAMAPTAPPKDM4ENPC1
SCHEMBL8547227 0.82 ATP4A (0.46) MAPTAPP
SCHEMBL8551522 0.82 CYP3A4 (0.42) GAAMAPTAPPKDM4ENPC1

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-0440061-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1998-04-01 EP disclosed
US-5284599-A Benzothiazole with alkyl group having asymmetric carbon connected to halogen; improved response CANON KABUSHIKI KAISHA (JP) 1994-02-08 US disclosed
US-5236619-A Benzothiazoles CANON KABUSHIKI KAISHA (JP) 1993-08-17 US disclosed
EP-0440061-A1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KABUSHIKI KAISHA (JP) 1991-08-07 EP disclosed