SCHEMBL7002011

SCHEMBL7002011

CCCSCCCCC[O]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.40
CES1 P23141 5/20 0.36
FAAH O00519 4/20 0.36
PLA2G6 O60733 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
TSHR P16473 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL7001840 1.00 CES2 (0.41) CES2GMNNTP53POLBMAPT
SCHEMBL7001457 0.97
SCHEMBL8813994 0.90 CES2 (0.52) CES2GMNNTP53POLBMAPT
SCHEMBL4499982 0.90 CES2 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL7000978 0.90 CES2 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL8050737 0.90 CES2 (0.52) CES2GMNNTP53POLBMAPT
SCHEMBL7001843 0.90 CES2 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL8811352 0.90 CES2 (0.52) CES2GMNNTP53POLBMAPT
SCHEMBL4159939 0.90 CES2 (0.52) CES2GMNNTP53POLBMAPT
SCHEMBL7000846 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525000-B1 N-aminoureas are reacted with formaldehyde to give methyleneimino ureas, cyclizing these to give tetrahydro-4H-1,3,4-oxa(or thia)diazines, and cyclizing the fused triazoles using phosgene; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
EP-1095045-B1 METHOD FOR PRODUCING ANELLATED TRIAZOLES AND NEW ANELLATED TRIAZOLES AND THEIR USE BASF AG (DE) 2003-01-15 EP disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed