SCHEMBL9850671

SCHEMBL9850671

CCCCCC[C@@H](Oc1ccc([N+](=O)[O-])cn1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSPB1 P04792 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
MGLL Q99685 1/20 0.36
GABRA5 P31644 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
SCHEMBL9850763 0.82 MGLL (0.47) MAPTHSPB1RAB9ANPC1L3MBTL1
SCHEMBL9427950 0.82 MGLL (0.47) MAPTHSPB1RAB9ANPC1L3MBTL1
SCHEMBL9850700 0.79 CYP3A4 (0.32)
SCHEMBL9850602 0.79 KDM4E (0.36) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL9850709 0.77 MAPT (0.52) MAPTNPSR1HSPB1RAB9ANPC1
SCHEMBL12173070 0.77 MAPT (0.52) MAPTNPSR1HSPB1RAB9ANPC1
SCHEMBL9850854 0.77 MAPT (0.52) MAPTNPSR1HSPB1RAB9ANPC1
SCHEMBL29151234 0.76 MAPT (0.45) MAPTNPSR1HSPB1RAB9ANPC1
SCHEMBL11590 0.76 MAPT (0.52) MAPTNPSR1HSPB1RAB9ANPC1
SCHEMBL745282 0.76 MAPT (0.52) MAPTNPSR1HSPB1RAB9ANPC1

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