SCHEMBL10947432

SCHEMBL10947432

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C#N)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CDK1 P06493 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8536431 0.89 GAA (0.49) GAAMAPTTP53GLACDK1
SCHEMBL8537796 0.88 GAA (0.48) GAAMAPTTP53GLACDK1
SCHEMBL8534934 0.88 GAA (0.48) GAAMAPTTP53GLACDK1
SCHEMBL8538069 0.87 GAA (0.47) GAAMAPTTP53GLACDK1
SCHEMBL8536302 0.86 GAA (0.47) GAAMAPTTP53GLACDK1
SCHEMBL8538228 0.85 GAA (0.47) GAAMAPTTP53GLACDK1
SCHEMBL8535329 0.85 GAA (0.45) GAAMAPTTP53GLACDK1
SCHEMBL8541132 0.84 GAA (0.44) GAAMAPTTP53GLACDK1
SCHEMBL10949384 0.83 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL8539979 0.82 GAA (0.43) GAAMAPTTP53GLACDK1

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-4515620-A PRE- AND POSTEMERGENCE HERBICIDES, PLANT GROWTH REGULATORS CIBA GEIGY CORPORATION (US) 1985-05-07 US disclosed