SCHEMBL10947019

SCHEMBL10947019

COc1nc(NC(=O)N(C)S(=O)(=O)Nc2ccccc2C)nc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL10946463 0.94 PTK2 (0.39) KEAP1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL10949326 0.86 TSHR (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1GAA
SCHEMBL10948891 0.83 TSHR (0.43) KMT2ASMN1; SMN2L3MBTL1GAAHSD17B10
SCHEMBL10946612 0.79 ALOX15 (0.43) KEAP1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL19417683 0.76 PTK2 (0.36) MEN1KMT2ASMN1; SMN2GAAHSD17B10
SCHEMBL10944696 0.74 ALOX15 (0.42) KEAP1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL10949002 0.74 TSHR (0.46) MEN1KMT2ASMN1; SMN2GAAHSD17B10
SCHEMBL10508336 0.72 CA1 (0.46) MEN1KMT2AL3MBTL1GAAHSD17B10
SCHEMBL10948520 0.71 MAPT (0.52) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL10945130 0.70 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2RAB9AALDH1A1

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