SCHEMBL8478769

SCHEMBL8478769

O=S1(=O)N=C(c2ccc(OCCCCCCBr)cc2)c2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.54
MAPT P10636 2/20 0.37
ALDH2 P05091 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
NOS1 P29475 1/20 0.33
TP53 P04637 1/20 0.32
PTPN11 Q06124 1/20 0.32
RARB P10826 3/20 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
SCHEMBL8485500 0.93 LSS (0.61) LSSMAPTALDH2MAOAMAOB
SCHEMBL5038084 0.92 LSS (0.59) LSSMAPTALDH2MAOAMAOB
SCHEMBL5035549 0.88 LSS (0.58) LSSMAPTALDH2MAOAMAOB
SCHEMBL8486489 0.87 LSS (0.53) LSSMAPTKDM4ETP53
SCHEMBL5038215 0.84 LSS (0.49) LSSMAPTALDH2MAOAMAOB
SCHEMBL5038200 0.81 LSS (0.47) LSSALDH2MAOAMAOBNOS1
SCHEMBL8760823 0.81 LSS (0.81) LSS
Fumaric Acid SCHEMBL8479463 0.80 LSS (0.64) LSSKDM4E
SCHEMBL5139832 0.79 LSS (0.64) LSSMAPTMAOBKMT2A
SCHEMBL5140362 0.79 LSS (0.68) LSSMAPTKDM4EKMT2A

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

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