SCHEMBL11085152

SCHEMBL11085152

CCOC(=O)NNC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
GAA P10253 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
MTOR P42345 2/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BAZ1A Q9NRL2 1/20 0.49
TGM2 P21980 1/20 0.48
IDH1 O75874 1/20 0.47
THRB P10828 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL7471768 0.86 MAPT (0.59) EPHX2KMT2AMEN1GAAPOLB
SCHEMBL1601239 0.83 SMN1; SMN2 (0.55) GAAPOLBMAPTHTTRAB9A
SCHEMBL18025700 0.83 GAA (0.50) KMT2AMEN1GAAPOLBMAPT
SCHEMBL10419324 0.80 GAA (0.68) EPHX2KMT2AMEN1GAAPOLB
SCHEMBL27350327 0.80 MEN1 (0.65) EPHX2KMT2AMEN1POLBMAPT
SCHEMBL2228878 0.79 MEN1 (0.54) KMT2AMEN1GAAPOLBMAPT
SCHEMBL19991711 0.78 MAPT (0.56) KMT2AMEN1GAAMAPTNPSR1
SCHEMBL24969427 0.78 MAPT (0.69) EPHX2KMT2AMEN1GAAPOLB
SCHEMBL3102077 0.77 KCNQ2 (0.63) EPHX2KMT2AMEN1MAPTNPSR1
SCHEMBL17161320 0.77 MEN1 (0.73) EPHX2KMT2AMEN1MAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4481356-A MEDICAL DIAGNOSIS THE UPJOHN COMPANY (US) 1984-11-06 US disclosed
US-4366320-A 4-Substituted phenyl-1,2,4-triazoline-3,5-diones and their dihydro analogs as analytical reagents THE UPJOHN COMPANY (US) 1982-12-28 US disclosed