SCHEMBL20202276

SCHEMBL20202276

Cc1cc(C)c(S(=O)(=O)NCCO)cc1S(=O)(=O)NCCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
PDK1 Q15118 1/20 0.59
PDK2 Q15119 1/20 0.59
PDK3 Q15120 1/20 0.59
PDK4 Q16654 1/20 0.59
CYP19A1 P11511 1/20 0.48
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GSTO1 P78417 1/20 0.43

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
SCHEMBL20462117 0.89 ALDH1A1 (0.51) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL11575607 0.82 MEP1B (0.61) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL18995904 0.82 ALDH1A1 (0.59) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL9005826 0.81 ALDH1A1 (0.54) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL30309662 0.80 CA1 (0.61) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL1349157 0.80 ALDH1A1 (0.52) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL633851 0.80 ALDH1A1 (0.52) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL16735334 0.80 CA1 (0.61) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL9320649 0.80 ALDH1A1 (0.52) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL9307678 0.78 ALDH1A1 (0.56) ALDH1A1PDK1PDK2PDK3PDK4

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-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed