SCHEMBL6013579

SCHEMBL6013579

CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1.C[C@H](C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MDM4 O15151 2/20 0.43
MDM2 Q00987 2/20 0.43
MLYCD O95822 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PDK1 Q15118 3/20 0.40
HDAC8 Q9BY41 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2C P28335 1/20 0.38

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
SCHEMBL29438205 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL4454349 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL29695353 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL62782 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL29438203 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL9370834 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL4894601 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL126595 1.00 NPC1 (0.46) NPC1RAB9AMDM4MDM2MLYCD
SCHEMBL8541737 0.92 MEN1 (0.48) NPC1RAB9AMDM4MDM2TRPM8
SCHEMBL8674776 0.91 NPC1 (0.41) NPC1RAB9AMDM4MDM2MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074743-B1 Herbicidal composition comprising 4-iodo-2-[3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureidosulfonyl]benzoic esters HOECHST SCHERING AGREVO GMBH (DE) 2006-07-11 US disclosed
EP-0946100-B1 HERBICIDES CONTAINING N-[(4,6-DIMETHOXYPYRIMIDINE-2-YL)AMINOCARBONYL]-5-METHYLSULPHONAMIDOMETHYL-2-ALKOXYCARBONYLBENZENE SULPHONAMIDES BAYER CROPSCIENCE GMBH (DE) 2003-06-25 EP disclosed
EP-0831707-B1 HERBICIDES WITH 4-IODO-2-[3-(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)UREIDOSULFONYL]-BENZOIC ACID ESTERS AVENTIS CROPSCIENCE GMBH (DE) 2001-09-26 EP disclosed
CN-1239867-A Herbicidal compositions comprising N- [ (4, 6-dimethoxypyrimidin-2-yl) aminocarbonyl ] -5-methylsulphinylaminomethyl-2-alkoxycarbonylbenzenesulfonamide HOECHST SCHERING AGREVO GMBH (DE) 1999-12-29 CN disclosed
US-5990047-A SYNERGISTIC MIXTURE WITH ONE OR MORE HERBICIDES WHICH ACTS SELECTIVELY IN CEREALS AND/OR MAIZE AGAINST: GRASSES; DICOTS; GRASSES AND DICOTS; OR GRASSES AND BROADLEAF WEEDS IN TRANSGENIC CROPS; OR WHICH ACTS NON-SELECTIVELY IN NONCROPS HOECHST SCHERING AGREVO GMBH (DE) 1999-11-23 US disclosed
EP-0831707-A1 HERBICIDES WITH 4-IODO-2-[3-(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)UREIDOSULFONYL]-BENZOIC ACID ESTERS Hoechst Schering AgrEvo GmbH (DE) 1998-04-01 EP disclosed
WO-1996041537-A1 HERBICIDES WITH 4-IODO-2-[3-(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)UREIDOSULFONYL]-BENZOIC ACID ESTERS HOECHST SCHERING AGREVO GMBH (DE) 1996-12-27 WO disclosed