SCHEMBL9280733

SCHEMBL9280733

C=CCS(=O)(=O)c1cncc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR6 P50406 7/20 0.37
HTR7 P34969 6/20 0.37
NAMPT P43490 2/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
PRKCZ Q05513 3/20 0.36
PRKD3 O94806 2/20 0.36
PRKCG P05129 2/20 0.36
PRKCB P05771 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL9683061 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9278016 0.80 PRKCZ (0.41) MEN1KMT2ALMNAHTR6HTR7
SCHEMBL2376079 0.76 ADRA2A (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA
Chloromethane SCHEMBL27716499 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL27464496 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
Benzene SCHEMBL12471481 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL3063215 0.73 CA1 (0.41) ALDH1A1MEN1KMT2ALMNAHTR6
SCHEMBL11144980 0.73 CA2 (0.60) KDM4EMEN1KMT2ALMNAPRKCZ
SCHEMBL11139164 0.73 ALDH1A1 (0.42) ALDH1A1HTR6HTR7NAMPTHTR1A
SCHEMBL2376082 0.73 CYP17A1 (0.42) MEN1KMT2ALMNAHTR6HTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7118236-A None JP disclosed
JP-H07118236-A SULFONYLISOQUINOLINE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HOKKO CHEM IND CO LTD 1995-05-09 JP disclosed