SCHEMBL8637481

SCHEMBL8637481

O=C(CCBr)SC(=O)CCBr

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.30
TRPA1 O75762 1/20 0.30
BBOX1 O75936 1/20 0.30

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
SCHEMBL8636296 0.84 KDM4E (0.36) LMNAKDM4EMEN1USP2ALDH1A1
SCHEMBL10568538 0.67 LMNA (0.43) LMNAKDM4EMEN1USP2ALDH1A1
SCHEMBL3098037 0.67
SCHEMBL2335970 0.67 LMNA (0.60) LMNAKDM4EKMT2AHSD17B10TDP1
SCHEMBL10938265 0.67 CES2 (0.50) MEN1ALDH1A1KMT2AHSD17B10TDP1
SCHEMBL3218037 0.65
SCHEMBL2340198 0.65 SLC22A6 (0.69) LMNAALDH1A1KMT2ATSHRSLC22A6
SCHEMBL25423053 0.65 ALDH1A1 (0.41) LMNAKDM4EMEN1USP2ALDH1A1
SCHEMBL423978 0.65
SCHEMBL28472 0.65

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-5770713-A Phosphorothioate triester oligonucleotides and method of preparation CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-06-23 US disclosed
US-3984404-A Acylthiomethyl esters of cephalosporins E. R. SQUIBB & SONS, INC. (US) 1976-10-05 US disclosed