SCHEMBL27945643

SCHEMBL27945643

CCCCCOCCCCC.Fc1cccc(Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.35
LTA4H P09960 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 6/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN1 P18031 1/20 0.33
GRM2 Q14416 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
SCHEMBL27945647 0.98 MEN1 (0.38) L3MBTL1KMT2AMEN1THRBHTT
SCHEMBL27945644 0.98 MEN1 (0.38) L3MBTL1KMT2AMEN1THRBHTT
SCHEMBL27945651 0.95 RARA (0.36) L3MBTL1KMT2AHTTMAPTTSHR
Ether SCHEMBL28552916 0.80 L3MBTL1 (0.34) L3MBTL1KMT2AHTTTSHRSMN1; SMN2
SCHEMBL27278460 0.80 HTT (0.41) KMT2AMEN1THRBHTTMAPT
SCHEMBL6000380 0.80 L3MBTL1 (0.51) L3MBTL1KMT2AMEN1MAPTFAAH
SCHEMBL29110929 0.80 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1THRBHTT
SCHEMBL28291072 0.78 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1THRBHTT
SCHEMBL28283712 0.78 L3MBTL1 (0.45) L3MBTL1KMT2AMEN1MAPTTSHR
SCHEMBL29110930 0.77 L3MBTL1 (0.37) L3MBTL1KMT2AMEN1TSHRLTA4H

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
CN-102585839-B Cyclohexadiene polyfluoro liquid crystal compound and preparation method thereof UNIV SHAANXI NORMAL 2013-12-11 CN disclosed