SCHEMBL9802893

SCHEMBL9802893

CCn1cc(F)c(=O)n(CC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 4/20 0.36
HSD17B13 Q7Z5P4 2/20 0.36
LMNA P02545 1/20 0.36
ADORA2A P29274 5/20 0.35
ADORA2B P29275 4/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
MAPK8 P45983 1/20 0.33
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL24205150 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1HSD17B13LMNA
SCHEMBL8876423 0.78 KDM4E (0.42) ALDH1A1HSD17B13LMNAADORA2AADORA2B
SCHEMBL4145685 0.76 ADORA2A (0.39) ALDH1A1ADORA2AADORA2BKDM4EMAPT
SCHEMBL13384442 0.73 GSK3A (0.34) ALDH1A1ADORA2AADORA2BKDM4EMAPT
SCHEMBL7516778 0.73 ADORA2A (0.35) ALDH1A1ADORA2AADORA2BPDE4APDE4B
SCHEMBL10656238 0.73 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1LMNAADORA2A
SCHEMBL27506471 0.72 POLB (0.39) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL11502128 0.72 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL1953767 0.72 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL19147865 0.72 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1LMNAADORA2A

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
EP-0299413-B1 New tetramethyl-cis-diaza-bicyclo[4.2.0]octane-3,5-dione derivatives having a differentiation-inducing activity MEIJI SEIKA KAISHA LTD. (JP) 1991-03-20 EP disclosed
US-4939156-A Antitumor agents MEIJI SEIKA KAISHA, LTD. (JP) 1990-07-03 US disclosed
EP-0299413-A1 New tetramethyl-cis-diaza-bicyclo[4.2.0]octane-3,5-dione derivatives having a differentiation-inducing activity MEIJI SEIKA KAISHA LTD. (JP) 1989-01-18 EP disclosed