SCHEMBL28622385

SCHEMBL28622385

O=S(=O)(O)CC(F)(F)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KIF11 P52732 1/20 0.39
ACP3 P15309 2/20 0.38
PTPRC P08575 1/20 0.37
CA2 P00918 2/20 0.37
NPY1R P25929 1/20 0.37
NPY5R Q15761 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3871886 0.77 MEN1 (0.44) KDM4EMEN1KMT2AKIF11ACP3
SCHEMBL3876388 0.76 KDM4E (0.43) KDM4EMEN1KMT2AKIF11ACP3
SCHEMBL14111208 0.75 KDM4E (0.46) KDM4EMEN1KMT2AKIF11ACP3
SCHEMBL14315704 0.74 TDP1 (0.44) KDM4EMEN1KMT2AACP3CA2
SCHEMBL29763080 0.73 KEAP1 (0.43) KDM4EMEN1KMT2AKIF11ACP3
SCHEMBL29058848 0.73 ALDH1A1 (0.40) KDM4EMEN1KMT2AKIF11ACP3
SCHEMBL17288537 0.73 KDM4E (0.39) KDM4EMEN1KMT2AKIF11ACP3
SCHEMBL35772 0.73 KEAP1 (0.43) KDM4EMEN1KMT2AKIF11ACP3
SCHEMBL11651931 0.72 KEAP1 (0.42) KDM4EMEN1KMT2AKIF11ACP3
SCHEMBL1719758 0.72 KEAP1 (0.42) KDM4EMEN1KMT2AKIF11ACP3

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-109563371-B Polysiloxane composition comprising acetal-protected silanol groups 日产化学株式会社 2021-09-21 CN disclosed