SCHEMBL8486489

SCHEMBL8486489

CNCCCCCCOc1ccc(C2=NS(=O)(=O)c3cc(Br)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR1B P28222 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TP53 P04637 1/20 0.32

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
Fumaric Acid SCHEMBL8479463 0.92 LSS (0.64) LSSL3MBTL1KDM4EALDH1A1SUCNR1
SCHEMBL8478769 0.87 LSS (0.54) LSSMAPTKDM4ETP53
SCHEMBL8485500 0.80 LSS (0.61) LSSMAPTKDM4E
SCHEMBL8760823 0.79 LSS (0.81) LSS
SCHEMBL5038084 0.79 LSS (0.59) LSSMAPTKDM4E
SCHEMBL5035549 0.78 LSS (0.58) LSSMAPTKDM4E
SCHEMBL5140362 0.77 LSS (0.68) LSSMAPTKDM4EALDH1A1
SCHEMBL5140396 0.76 LSS (0.64) LSSMAPTKDM4EALDH1A1
SCHEMBL5139925 0.76 LSS (0.56) LSSMAPT
SCHEMBL5139832 0.76 LSS (0.64) LSSMAPT

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
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US claimed
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed