SCHEMBL7743403

SCHEMBL7743403

O=C(/C=C/CNc1ccccc1)OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
PAX8 Q06710 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
MAOB P27338 1/20 0.39
FABP7 O15540 1/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9519629 0.81 MAPT (0.54) KMT2AMEN1MAPTLMNAHTT
SCHEMBL3631342 0.81 MAPT (0.54) KMT2AMEN1MAPTLMNAHTT
SCHEMBL28390146 0.78 HCAR2 (0.45) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL20590123 0.74 EPHX2 (0.45) KMT2AMEN1MAPTLMNAHTT
SCHEMBL10805796 0.74 EPHX2 (0.45) KMT2AMEN1MAPTLMNAHTT
SCHEMBL9244671 0.74 MAOB (0.55) KMT2AMEN1MAPTLMNAHTT
SCHEMBL9297637 0.74 POLB (0.49) KMT2AMEN1MAPTLMNAHTT
SCHEMBL9244660 0.74 MAOB (0.55) KMT2AMEN1MAPTLMNAHTT
SCHEMBL4354147 0.73 SMN1; SMN2 (0.55) KMT2AMEN1MAPTLMNAHTT
SCHEMBL28476057 0.72 MAOB (0.42) KMT2AMEN1MAPTLMNAHTT

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
US-6423866-B1 THERMOLYSIS OF AMMONIUM SALT OF HALOGENATED LOWER ALKYL ACETOACETATE USING MELT SOLVAYTFLOUR UND DERIVATE GMBH (DE) 2002-07-23 US disclosed