SCHEMBL9752655

SCHEMBL9752655

CCN(C(=O)S)C1CCCCC1.CN(C)C(=O)NC1CCCCCCC1.CN(C)C(=O)NC1CCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
EPHX1 P07099 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRA2A P08913 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR5 P51681 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
Cycloate SCHEMBL9274445 0.83 KMT2A (0.39) KMT2APKMEPHX1KDM4EALDH1A1
SCHEMBL1123364 0.83 L3MBTL1 (0.49) KMT2AALDH1A1L3MBTL1MEN1NPC1
SCHEMBL135838 0.79 EPHX1 (0.56) PKMEPHX1KDM4EALDH1A1ADRA2A
SCHEMBL2869853 0.79 EPHX1 (0.56) PKMEPHX1KDM4EALDH1A1ADRA2A
SCHEMBL9451038 0.79 EPHX1 (0.56) PKMEPHX1KDM4EALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL3720424 0.78 PKM (0.54) PKMEPHX1KDM4EALDH1A1ADRA2A
SCHEMBL11438411 0.78 PKM (0.53) PKMEPHX1KDM4EALDH1A1ADRA2A
SCHEMBL23169461 0.73 PKM (0.50) KMT2APKMEPHX1KDM4EALDH1A1
SCHEMBL28004819 0.72 EPHX1 (0.49) EPHX1KDM4EALDH1A1ADRA2APDE4A
SCHEMBL7102443 0.71 ALDH1A1 (0.38) KMT2AEPHX1KDM4EALDH1A1ADRA2A

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
WO-1991010668-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 WO disclosed