SCHEMBL8859523

SCHEMBL8859523

COc1nc(NC(=O)NS(=O)(=O)Nc2nc(C)cc(C)n2)nc(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
GAA P10253 2/20 0.48
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8859548 0.89 ALOX15 (0.64) ALOX15GAAMAPTHTTKMT2A
SCHEMBL8859540 0.87 ALOX15 (0.57) ALOX15GAAMAPTHTTKDM4E
SCHEMBL22774596 0.83 ALOX15 (0.45) ALOX15GAAMAPTHTTKDM4E
SCHEMBL8859618 0.79 GAA (0.60) ALOX15GAAMAPTKDM4EKMT2A
SCHEMBL10949592 0.79 ALOX15 (0.43) ALOX15GAAMAPTHTT
SCHEMBL10946612 0.79 ALOX15 (0.43) ALOX15GAAMAPTMEN1KMT2A
SCHEMBL29505572 0.78 ALOX15 (0.43) ALOX15GAAMAPTHTTKDM4E
SCHEMBL10948809 0.77 NPC1 (0.43) ALOX15MAPTHTTMEN1KMT2A
SCHEMBL10946641 0.76 MAPT (0.46) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL10857900 0.75 GAA (0.42) GAAMAPTHTT

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-5610121-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed