SCHEMBL9850709

SCHEMBL9850709

CCCCCCOc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CYP19A1 P11511 4/20 0.51
HSPB1 P04792 2/20 0.48
PKM P14618 1/20 0.46
CNR1 P21554 1/20 0.46
ACHE P22303 1/20 0.46
CNR2 P34972 1/20 0.46
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
GABRA5 P31644 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12173070 1.00 MAPT (0.52) MAPTNPC1RAB9ACYP19A1HSPB1
SCHEMBL9850854 1.00 MAPT (0.52) MAPTNPC1RAB9ACYP19A1HSPB1
SCHEMBL3333575 0.94 MAPT (0.58) MAPTNPC1RAB9ACYP19A1HSPB1
SCHEMBL17672793 0.89 HSPB1 (0.51) MAPTNPC1RAB9ACYP19A1HSPB1
SCHEMBL14669487 0.87 NPC1 (0.52) MAPTNPC1RAB9ACYP19A1HSPB1
SCHEMBL25690971 0.85 HSPB1 (0.48) MAPTNPC1RAB9AHSPB1MEN1
SCHEMBL12173143 0.84 HSPB1 (0.47) MAPTNPC1RAB9ACYP19A1HSPB1
SCHEMBL25696241 0.84 HSPB1 (0.47) MAPTNPC1RAB9ACYP19A1HSPB1
SCHEMBL31636995 0.83 HSPB1 (0.49) MAPTNPC1RAB9AHSPB1MEN1
SCHEMBL26114342 0.83 HSPB1 (0.49) MAPTNPC1RAB9AHSPB1MEN1

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-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed