SCHEMBL8554697

SCHEMBL8554697

CCCCCCC1Cc2ccc(-c3ccc([N+](=O)[O-])cn3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
EIF4A1 P60842 1/20 0.39
PNMT P11086 7/20 0.37
ADRA2A P08913 3/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
GRIA2 P42262 4/20 0.37
CYP19A1 P11511 2/20 0.35
HDAC8 Q9BY41 1/20 0.33
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL8553264 0.81 CYP3A4 (0.38) NPC1MAPTRAB9AGRIA2STAT3
SCHEMBL8556271 0.81 NPC1 (0.47) NPC1MAPTRAB9AGRIA2CYP19A1
SCHEMBL8553142 0.80 RAB9A (0.55) NPC1MAPTRAB9ASTAT3ATM
SCHEMBL8552877 0.79 KDM4E (0.48) MAPTRAB9AGRIA2CYP19A1
SCHEMBL8552673 0.79 CYP3A4 (0.40) MAPTGRIA2
SCHEMBL8556156 0.79 CYP3A4 (0.40) MAPTGRIA2
SCHEMBL8555744 0.79 HPGDS (0.43) NPC1MAPTRAB9AGRIA2STAT3
SCHEMBL8552658 0.78 KDM4E (0.56) NPC1MAPTRAB9AGRIA2STAT3
SCHEMBL8555083 0.78 NPC1 (0.40) NPC1RAB9AGRIA2HDAC8SMN1; SMN2
SCHEMBL8551722 0.74 FYN (0.40) NPC1MAPTRAB9ACYP19A1STAT3

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-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed