SCHEMBL11280498

SCHEMBL11280498

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)N2CCCC2)nc2c1CCO2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
CCKBR P32239 1/20 0.35
KMT2A Q03164 1/20 0.35
EED O75530 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.34

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 0.88 EDNRB (0.42) EDNRBEDNRANPC1KDM4E
SCHEMBL11291121 0.87 EDNRB (0.39) EDNRBEDNRAKMT2ANPC1KDM4E
SCHEMBL11291123 0.86 EDNRB (0.41) EDNRBEDNRANPC1KDM4E
SCHEMBL11281334 0.84 EDNRB (0.37) EDNRBEDNRANPC1KDM4E
SCHEMBL10508077 0.80 GAA (0.52) SMN1; SMN2LMNACYP1A2CYP2C19HTT
SCHEMBL10847421 0.79 EDNRB (0.37) EDNRBEDNRANPC1KDM4E
SCHEMBL11042703 0.78 KDM4E (0.41) EDNRBEDNRANPC1KDM4E
SCHEMBL11155912 0.78 NPC1 (0.41) KMT2ANPC1KDM4E
SCHEMBL11155674 0.76 CA2 (0.39) CYP1A2NPC1KDM4E
SCHEMBL11041308 0.74 EDNRB (0.38) SMN1; SMN2CYP1A2CYP2C19EDNRBEDNRA

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