SCHEMBL7472117

SCHEMBL7472117

CC(C)(C)OC(=O)C(N=C(N)N)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.38
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
AAK1 Q2M2I8 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS1 P29475 2/20 0.33
APP P05067 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL8601269 0.83 MIF (0.36) MIFESR1ESR2KMT2AMAPK1
SCHEMBL5414409 0.79 MIF (0.40) MIFESR1ESR2LMNAKMT2A
SCHEMBL9995953 0.79 MIF (0.40) MIFESR1ESR2LMNAKMT2A
SCHEMBL5414405 0.79 MIF (0.40) MIFESR1ESR2LMNAKMT2A
SCHEMBL11525093 0.78 KMT2A (0.43) MIFESR1ESR2LMNAKMT2A
SCHEMBL27747410 0.78 MIF (0.39) MIFESR1ESR2LMNAKMT2A
SCHEMBL3525216 0.76 ACHE (0.39) MIFESR1ESR2LMNAKMT2A
SCHEMBL7467555 0.75 ESR1 (0.41) MIFESR1ESR2AAK1LMNA
SCHEMBL10618816 0.75 MIF (0.41) MIFESR1ESR2LMNAKMT2A
SCHEMBL27455879 0.75 LMNA (0.38) MIFESR1ESR2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed