SCHEMBL10946641

SCHEMBL10946641

COc1nc(NC(=O)NS(=O)(=O)Nc2ccccc2OC)nc(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.45
HTT P42858 2/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCRTR1 O43613 1/20 0.41

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
SCHEMBL10945094 0.94 MAPT (0.46) MAPTSMN1; SMN2POLBHTTMEN1
SCHEMBL10946612 0.88 ALOX15 (0.43) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10945261 0.86 ALDH1A1 (0.42) MAPTSMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL10949592 0.84 ALOX15 (0.43) MAPTHTTCA1CA2CA9
SCHEMBL10944696 0.83 ALOX15 (0.42) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10946515 0.83 TSHR (0.50) MAPTSMN1; SMN2HTTMEN1LMNA
SCHEMBL9222405 0.82 MAPT (0.38) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10948376 0.81 NPC1 (0.43) MAPTPOLBMEN1LMNAKMT2A
SCHEMBL10946143 0.81 TSHR (0.46) MAPTPOLBHTTLMNAKMT2A
SCHEMBL1014139 0.81 ALOX15 (0.40) SMN1; SMN2POLBHTTMEN1LMNA

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