SCHEMBL7602646

SCHEMBL7602646

C=CC(=O)NCCCNC(=O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 1/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CA3 P07451 2/20 0.60
CA5A P35218 2/20 0.60
CA5B Q9Y2D0 2/20 0.60
CA14 Q9ULX7 2/20 0.60
CA2 P00918 2/20 0.60
CA12 O43570 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
EPHX1 P07099 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7608354 0.94 MEN1 (0.70) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1561467 0.83 ZDHHC20 (0.68) ALDH1A1SMN1; SMN2KMT2AZDHHC20ZDHHC2
SCHEMBL12409797 0.79 ZDHHC20 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL632264 0.79 ZDHHC20 (0.75) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16309302 0.77 ZDHHC20 (0.61) ALDH1A1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL12331879 0.77 ZDHHC20 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ACA3
SCHEMBL3142216 0.77 CA3 (0.95) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16384941 0.77 ZDHHC20 (0.61) ALDH1A1KMT2AEPHX1ZDHHC20ZDHHC2
SCHEMBL18331484 0.77 ZDHHC20 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ACA3

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
EP-0135587-B2 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE INC (US) 2002-12-18 EP disclosed
US-5668266-A Synthesis of single-stranded labelled oligonucleotides of preselected sequence SYNGENE, INC. (US) 1997-09-16 US disclosed
US-5541313-A Single-stranded labelled oligonucleotides of preselected sequence MOLECULAR BIOSYSTEMS, INC. (US) 1996-07-30 US disclosed
US-4948882-A Single-stranded labelled oligonucleotides, reactive monomers and methods of synthesis SYNGENE, INC. (US) 1990-08-14 US disclosed
EP-0135587-B1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE, INC. (US) 1990-05-02 EP disclosed
EP-0135587-A4 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1986-04-02 EP disclosed
EP-0135587-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1985-04-03 EP disclosed
WO-1984003285-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS MOLECULAR BIOSYSTEMS INC (US) 1984-08-30 WO disclosed