SCHEMBL7999469

SCHEMBL7999469

Cn1c(SCC(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(/C=C4\CCN(CC5CC5)C4=O)CS[C@H]23)nnc1C(F)(F)F.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 7/20 0.38
POLB P06746 6/20 0.38
TDP1 Q9NUW8 5/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CA5A P35218 1/20 0.38
NR1I2 O75469 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35

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
SCHEMBL5509276 0.99 MEN1 (0.44) MEN1KMT2ATSHRNPSR1MAPT
SCHEMBL7999481 0.99 KMT2A (0.44) MEN1KMT2ATSHRNPSR1MAPT
SCHEMBL7999471 0.93 MEN1 (0.43) MEN1KMT2ATSHRNPSR1MAPT
SCHEMBL5507836 0.89 MEN1 (0.45) MEN1KMT2ATSHRNPSR1MAPT
SCHEMBL5507853 0.88 KMT2A (0.45) MEN1KMT2ATSHRNPSR1MAPT
SCHEMBL5505065 0.85 POLB (0.47) TSHRMAPTPOLBTDP1HTT
SCHEMBL5507843 0.82 MEN1 (0.44) MEN1KMT2ATSHRNPSR1MAPT
SCHEMBL5510426 0.82 CA5A (0.45) MAPTPOLBTDP1HTTPKM
SCHEMBL5502024 0.81 CA5A (0.50) MAPTPOLBTDP1HTTPKM
SCHEMBL5502011 0.81 CA5A (0.50) MAPTPOLBTDP1HTTPKM

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-6294668-B1 ANTIBACTERIAL ACTIVITY AGAINST BETA-LACTAM SENSITIVE AND RESISTANT GRAM-POSITIVE BACTERIA, SUCH AS STAPHYLOCOCCI, PNEUMOCOCCI, AND ENTEROCOCCI; USED IN THERAPY OF INFECTIOUS DISEASES CAUSED BY THOSE BACTERIA HOFFMAN-LA ROCHE INC. 2001-09-25 US disclosed
EP-0841339-A1 Vinylpyrrolidinon cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP disclosed