SCHEMBL7143431

SCHEMBL7143431

O=CCN1CCN(CCCCOc2ccc3c(-c4ccc(Br)cc4)nsc3c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.75
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL7149746 0.97 LSS (0.70) LSSATML3MBTL1RAB9ASLC6A2
SCHEMBL5040053 0.88 LSS (0.80) LSSATML3MBTL1RAB9ASLC6A2
SCHEMBL5038906 0.88 LSS (0.83) LSSATML3MBTL1SLC6A2SLC6A4
SCHEMBL5038468 0.88 LSS (0.83) LSSATML3MBTL1
SCHEMBL5038908 0.87 LSS (0.81) LSSATML3MBTL1KDM4E
SCHEMBL5039989 0.85 LSS (1.00) LSSATML3MBTL1KDM4E
SCHEMBL5043337 0.85 LSS (0.75) LSSRAB9AHRH2HRH1
SCHEMBL5040101 0.85 LSS (0.72) LSSRAB9AKDM4EHRH2HRH1
SCHEMBL5045347 0.85 LSS (0.78) LSSATML3MBTL1SLC6A2SLC6A4
SCHEMBL5039805 0.85 LSS (0.78) LSSATML3MBTL1HRH1

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