SCHEMBL27831324

SCHEMBL27831324

CC(O)C(=O)On1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ GRIA2 P42262 1/20 0.43
▸ GRIA3 P42263 1/20 0.43
▸ GRIA4 P48058 1/20 0.43
▸ GRIK5 Q16478 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ ASAH1 Q13510 1/20 0.36
▸ SQOR Q9Y6N5 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ HTT P42858 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
SCHEMBL27744847 0.81 LMNA (0.46) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL27538958 0.77 LMNA (0.52) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL27574601 0.73 KDM4E (0.44) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL10660016 0.72 LMNA (0.49) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL8913283 0.71 SQOR (0.52) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL8412383 0.70 TYMP (0.43) HPGD
SCHEMBL23322830 0.68 LMNA (0.46) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL21465946 0.68 LMNA (0.56) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL11098374 0.68 LMNA (0.46) LMNAKDM4ECYP1A2GRIA1GRIA2
SCHEMBL10510362 0.67 SMN1; SMN2 (0.50) LMNAKDM4ECYP1A2GRIA1GRIA2

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
CN-102300560-A pancreatic tumor therapy — 2011-12-28 — — CN disclosed
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