SCHEMBL22019079

SCHEMBL22019079

Cc1ccc(C)c(NC(C)I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.47
GAA P10253 3/20 0.44
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HCRTR1 O43613 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL5300758 0.83 RAPGEF4 (0.50) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL11474256 0.79 GAA (0.48) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL24893149 0.76 RAB9A (0.41) GAAALDH1A1HTTKDM4EMEN1
SCHEMBL11693372 0.76 ALDH1A1 (0.47) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL10990546 0.75 RAPGEF4 (0.43) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL22643737 0.74 MAPT (0.46) GAAALDH1A1HTTKDM4EKMT2A
SCHEMBL24595009 0.73 RAPGEF4 (0.42) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL28264872 0.73 RAPGEF4 (0.54) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL12451042 0.73 GAA (0.55) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL27315444 0.73 RAPGEF4 (0.54) RAPGEF4GAAALDH1A1HTTKDM4E

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed