SCHEMBL6020809

SCHEMBL6020809

C=CCCn1ccc(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
POLB P06746 3/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PRMT6 Q96LA8 1/20 0.31
AR P10275 1/20 0.31
ATM Q13315 1/20 0.31
IDH1 O75874 1/20 0.31
IDH2 P48735 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL18222537 0.77 LMNA (0.40) MAPTPOLBLMNAHTTKDM4E
SCHEMBL29168008 0.77 LMNA (0.37) MAPTPOLBLMNAHTTKDM4E
SCHEMBL1780648 0.77 LMNA (0.40) MAPTPOLBLMNAHTTKDM4E
SCHEMBL15417666 0.77 LMNA (0.43) MAPTPOLBLMNAHTTKDM4E
SCHEMBL10716962 0.76 POLB (0.39) MAPTPOLBLMNAHTTKDM4E
SCHEMBL13270149 0.74 LMNA (0.41) MAPTPOLBLMNAHTTKDM4E
SCHEMBL5632040 0.74 POLB (0.39) MAPTPOLBLMNAHTTKDM4E
SCHEMBL24777113 0.72 POLB (0.41) MAPTPOLBLMNAHTTKDM4E
SCHEMBL18775161 0.72 IRAK4 (0.41) MAPTPOLBLMNAHTTKDM4E
SCHEMBL2185765 0.72 AR (0.39) MAPTPOLBLMNAHTTKDM4E

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-1710234-A1 MALONONITRILE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-10-11 EP disclosed