SCHEMBL28031444

SCHEMBL28031444

O=[SH](=O)c1cc(Br)c(OCCCBr)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
KLK1 P06870 1/20 0.39
KDM4E B2RXH2 5/20 0.38
THRA P10827 6/20 0.38
THRB P10828 6/20 0.38
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL12370664 0.78 KLK1 (0.44) HRH3KLK1KDM4ETHRATHRB
SCHEMBL7636855 0.75 KMT2A (0.49) HRH3KLK1KDM4ETHRATHRB
SCHEMBL2349299 0.74 KLK1 (0.39) HRH3KLK1KDM4ETHRATHRB
SCHEMBL20815429 0.74 ALDH1A1 (0.58) THRATHRBALDH1A1
SCHEMBL8788764 0.73 THRB (0.44) HRH3KLK1THRATHRBMEN1
SCHEMBL27320400 0.73 THRB (0.48) HRH3KLK1KDM4ETHRATHRB
SCHEMBL1545057 0.71 KLK1 (0.47) HRH3KLK1KDM4ETHRATHRB
SCHEMBL12370674 0.70 ALDH1A1 (0.58) HRH3KLK1KDM4ETHRATHRB
SCHEMBL20482100 0.70 SMN1; SMN2 (0.39) HRH3KLK1KDM4ETHRATHRB
SCHEMBL8350687 0.68 KLK1 (0.35) HRH3KLK1THRATHRB

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
CN-102300921-B Based on the binder composition of grafted polyethylene ARKEMA FRANCE (FR) 2015-09-02 CN disclosed