SCHEMBL7168583

SCHEMBL7168583

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.53
KDM1A O60341 1/20 0.33
KCNH2 Q12809 2/20 0.33
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL7164733 0.93 LSS (0.51) LSSKDM1AATP4AATP4BCTSS
SCHEMBL7167049 0.93 LSS (0.56) LSSKDM1AATP4AATP4BCTSS
SCHEMBL5045437 0.89 LSS (0.61) LSSKDM1A
SCHEMBL7170120 0.88 LSS (0.55) LSSKCNH2
SCHEMBL5038486 0.86 LSS (0.51) LSSKDM1A
SCHEMBL7176452 0.86 LSS (0.56) LSSATP4AATP4BCTSSCTSK
SCHEMBL5040354 0.86 LSS (0.58) LSS
SCHEMBL5045586 0.84 LSS (0.50) LSS
SCHEMBL5038349 0.84 LSS (0.61) LSSKDM1A
SCHEMBL5035559 0.83 LSS (0.58) LSSKCNH2

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