SCHEMBL7513574

SCHEMBL7513574

CCOc1ccc(-c2ncc(CC)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
KDM4E B2RXH2 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 4/20 0.51
TP53 P04637 3/20 0.51
XDH P47989 1/20 0.50
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
MPI P34949 1/20 0.42

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
SCHEMBL7507171 0.86 MAPT (0.54) NQO1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8077057 0.85 CLK4 (0.58) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL22529465 0.83 NQO1 (0.54) NQO1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8035878 0.83 RAB9A (0.62) NQO1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL14155941 0.83 NPC1 (0.67) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL803074 0.82 TP53 (0.50) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL13028977 0.81 CLK4 (0.53) NQO1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9062115 0.81 RXRA (0.48) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8559935 0.80 RAB9A (0.68) NQO1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9477779 0.80 RAB9A (0.68) NQO1RAB9ANPC1KDM4ESMN1; SMN2

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-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 EP disclosed
US-5779936-A FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE CHISSO CORPORATION (JP) 1998-07-14 US disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed