SCHEMBL30607191

SCHEMBL30607191

CCCS(=O)(=O)c1ccccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1136684 0.88 EPHX2 (0.45) MEN1KMT2ALMNATHRBBLM
SCHEMBL16495208 0.86 LMNA (0.48) MEN1KMT2ALMNATHRBBLM
SCHEMBL8972675 0.81 LMNA (0.43) MEN1KMT2ALMNATHRBBLM
SCHEMBL8972623 0.81 MEN1 (0.43) MEN1KMT2ALMNATHRBBLM
SCHEMBL7388305 0.77 LMNA (0.39) MEN1KMT2ALMNATHRBBLM
SCHEMBL7542257 0.77 LMNA (0.46) MEN1KMT2ALMNATHRBBLM
SCHEMBL9712135 0.77 LMNA (0.46) MEN1KMT2ALMNATHRBBLM
SCHEMBL9711980 0.77 LMNA (0.46) MEN1KMT2ALMNATHRBBLM
SCHEMBL6097634 0.75 KEAP1 (0.53) MEN1KMT2ALMNATDP1ALDH1A1
Alcohol SCHEMBL9499504 0.74 LMNA (0.43) MEN1KMT2ALMNATHRBBLM

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-109476616-B Piperazinyl methanone NAAA inhibitors 加利福尼亚大学董事会 2023-10-13 CN disclosed