SCHEMBL7151986

SCHEMBL7151986

CC#Cc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.47
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
EPHX2 P34913 1/20 0.36
KIF11 P52732 3/20 0.36
MAPK1 P28482 3/20 0.33
MAP2K4 P45985 3/20 0.33
MAPK6 Q16659 3/20 0.33
MAPKAPK3 Q16644 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DHODH Q02127 1/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 2/20 0.33
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
PLAU P00749 1/20 0.31
MAPKAPK5 Q8IW41 1/20 0.31

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
SCHEMBL5040354 0.84 LSS (0.58) LSSMKNK1MKNK2
SCHEMBL5038769 0.84 LSS (0.54) LSSMKNK1MKNK2EPHX2KIF11
SCHEMBL5038283 0.83 LSS (0.53) LSSMKNK1MKNK2KIF11MAPK1
SCHEMBL7165185 0.82 LSS (0.48) LSSMKNK1MKNK2EPHX2KIF11
SCHEMBL5038562 0.82 LSS (0.55) LSSMKNK1MKNK2
SCHEMBL5038924 0.81 LSS (0.56) LSSMKNK1MKNK2KIF11MAPK1
SCHEMBL5035559 0.80 LSS (0.58) LSS
SCHEMBL5045437 0.80 LSS (0.61) LSSMKNK1MKNK2MAPK1MAP2K4
SCHEMBL5035354 0.79 LSS (0.46) LSSMKNK1MKNK2KIF11TRPV1
SCHEMBL5045586 0.79 LSS (0.50) LSSMKNK1MKNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO disclosed