SCHEMBL10272165

SCHEMBL10272165

CC[S+]([O-])c1nc(SC)c(C#N)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
HPGD P15428 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
RXFP1 Q9HBX9 4/20 0.36
PPARG P37231 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 4/20 0.35
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PRNP P04156 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL10272180 0.84 GAA (0.60) GAAHPGDKMT2ALMNAMEN1
SCHEMBL2715940 0.72 GAA (0.60) GAAHPGDKMT2ALMNAMEN1
SCHEMBL10466353 0.72 GAA (1.00) GAAHPGDKMT2ALMNAMEN1
SCHEMBL10271853 0.72 GAA (0.70) GAAHPGDKMT2ALMNAMEN1
SCHEMBL213872 0.65 GAA (0.57) GAAHPGDKMT2ALMNAMEN1
SCHEMBL8380313 0.65 HPGD (0.65) GAAHPGDKMT2ALMNAMEN1
SCHEMBL10272163 0.64 GAA (0.56) GAAHPGDKMT2ALMNAMEN1
SCHEMBL10464952 0.64 GAA (0.56) GAAHPGDKMT2ALMNAMEN1
SCHEMBL212312 0.63 MEN1 (0.56) GAAHPGDKMT2ALMNAMEN1
SCHEMBL214315 0.62 GAA (0.53) GAAHPGDKMT2ALMNAMEN1

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
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed