SCHEMBL16705159

SCHEMBL16705159

O=S(=O)(Cl)C1C[C@@H]2C=C[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 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
SCHEMBL2014878 1.00 KDM4E (0.35) KDM4ELMNAALDH1A1MEN1HTT
SCHEMBL16704800 1.00 KDM4E (0.35) KDM4ELMNAALDH1A1MEN1HTT
SCHEMBL2020308 0.83
SCHEMBL9317589 0.81 KDM4E (0.38) KDM4ELMNAALDH1A1EPHX2TDP1
SCHEMBL21594539 0.79 KDM4E (0.36) KDM4ELMNAALDH1A1MEN1HTT
SCHEMBL21215002 0.77 KDM4E (0.35) KDM4ELMNAALDH1A1EPHX2TDP1
SCHEMBL4545263 0.77 KDM4E (0.39) KDM4ELMNAALDH1A1EPHX2TDP1
SCHEMBL2458229 0.77 KDM4E (0.35) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL2016534 0.76 KDM4E (0.34) KDM4ELMNAALDH1A1EPHX2PKM
SCHEMBL2016537 0.76 KDM4E (0.38) KDM4ELMNAALDH1A1EPHX2TDP1

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-9029457-B2 Silica-supported oligomeric hybrid materials THE UNIVERSITY OF KANSAS (US) 2015-05-12 US disclosed