SCHEMBL28857217

SCHEMBL28857217

O=S(=O)(c1ccccc1)n1ccc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HTR6 P50406 16/20 0.59
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
DRD2 P14416 2/20 0.50
HTR1A P08908 1/20 0.50
FABP4 P15090 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL21569660 0.84 MEN1 (0.65) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL29560121 0.84 MEN1 (0.65) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL29559974 0.82 MEN1 (1.00) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL10345778 0.82 MEN1 (1.00) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL45741 0.80 HTR6 (0.63) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL31319736 0.80 HTR6 (0.63) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL28920261 0.80 MEN1 (0.67) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL17597311 0.78 MEN1 (0.85) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL6851383 0.78 MEN1 (0.68) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL27879729 0.78 MEN1 (0.72) MEN1KMT2AHTR6ALDH1A1LMNA

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-107820494-A Nuclear receptor modulators 艾伯维公司 2018-03-20 CN disclosed