SCHEMBL9819086

SCHEMBL9819086

Cc1cc(C#N)ccc1NC(=O)C(C#N)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 2/20 0.40
RAPGEF4 Q8WZA2 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
GSK3B P49841 1/20 0.37
VNN1 O95497 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL9819203 0.87 PDK1 (0.50) RAPGEF3RAPGEF4RXFP1KMT2AMEN1
SCHEMBL9819360 0.87 RAPGEF3 (0.43) RAPGEF3RAPGEF4KMT2AMEN1MAPT
SCHEMBL9819109 0.85 KMT2A (0.49) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL9818936 0.85 RAF1 (0.45) RAPGEF3RAPGEF4KMT2AMEN1MAPT
SCHEMBL9819084 0.83 MAPT (0.51) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL9819234 0.83 RAF1 (0.43) RAPGEF3RAPGEF4MAPT
SCHEMBL9819032 0.82 MLYCD (0.52) RXFP1RAB9AGSK3BVNN1MLYCD
SCHEMBL9819035 0.82 MLYCD (0.52) RXFP1RAB9AGSK3BVNN1MLYCD
SCHEMBL9818887 0.78 IDO1 (0.47) RAPGEF3RAPGEF4RXFP1KMT2AMEN1
SCHEMBL9818928 0.77 EPHX2 (0.50) RAPGEF3RAPGEF4RAB9AGSK3BIDO1

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-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed