SCHEMBL11069346

SCHEMBL11069346

CC(=NO)c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.57
CYP1A2 P05177 3/20 0.50
MAP4K4 O95819 1/20 0.50
CSNK1G2 P78368 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50
CASP3 P42574 1/20 0.47
GFER P55789 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CFTR P13569 1/20 0.46
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
BCAT1 P54687 1/20 0.43

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
SCHEMBL3396690 0.82 MGAM (0.65) MGAMCYP1A2MAP4K4CSNK1G2CLK4
SCHEMBL1765966 0.82 MGAM (0.65) MGAMCYP1A2MAP4K4CSNK1G2CLK4
SCHEMBL4947192 0.79 MGAM (0.57) MGAMCYP1A2MAP4K4CSNK1G2CLK4
SCHEMBL6604149 0.79 MGAM (0.57) MGAMCYP1A2MAP4K4CSNK1G2CLK4
SCHEMBL610575 0.79 MGAM (0.61) MGAMCYP1A2MAP4K4CSNK1G2CLK4
SCHEMBL530761 0.79 MGAM (0.71) MGAMCYP1A2MAP4K4CSNK1G2CLK4
SCHEMBL29684771 0.79 MGAM (0.71) MGAMCYP1A2MAP4K4CSNK1G2CLK4
SCHEMBL28879835 0.79 MGAM (0.61) MGAMCYP1A2MAP4K4CSNK1G2CLK4
SCHEMBL2573118 0.78 HTT (0.56) CYP1A2CASP3GFERSENP8SENP7
SCHEMBL2573116 0.78 HTT (0.56) CYP1A2CASP3GFERSENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4450270-A Dioximino cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1984-05-22 US disclosed
US-4402955-A ZWITTERIONS; GRAMNEGATIVE BACTERIA ELI LILLY AND COMPANY (US) 1983-09-06 US disclosed
US-4379787-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-04-12 US disclosed