SCHEMBL11291121

SCHEMBL11291121

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)S)nc2c1CCO2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 2/20 0.35
CDK1 P06493 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11282581 0.92 EDNRB (0.42) EDNRBEDNRANPC1KDM4EALDH1A1
SCHEMBL11291123 0.90 EDNRB (0.41) EDNRBEDNRANPC1KDM4EALDH1A1
SCHEMBL11280498 0.87 SMN1; SMN2 (0.39) EDNRBEDNRANPC1KDM4EKMT2A
SCHEMBL11281334 0.86 EDNRB (0.37) EDNRBEDNRANPC1KDM4EALDH1A1
SCHEMBL10847421 0.83 EDNRB (0.37) EDNRBEDNRANPC1KDM4EALDH1A1
SCHEMBL11042703 0.82 KDM4E (0.41) EDNRBEDNRANPC1KDM4EALDH1A1
SCHEMBL11155912 0.81 NPC1 (0.41) NPC1KDM4EALDH1A1MAPTGAA
SCHEMBL11155674 0.79 CA2 (0.39) NPC1KDM4EALDH1A1MAPT
SCHEMBL11041308 0.78 EDNRB (0.38) EDNRBEDNRANPC1KDM4EALDH1A1
SCHEMBL11281725 0.77 CA1 (0.39) NPC1KDM4EALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339267-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US claimed
US-4339267-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed