SCHEMBL300765

SCHEMBL300765

CC(C)(C)OC(=O)ON1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 11/20 0.56
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
HTT P42858 6/20 0.54
LMNA P02545 5/20 0.54
HPGD P15428 3/20 0.52
TP53 P04637 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 8/20 0.52
HSD17B10 Q99714 3/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 2/20 0.48
POLB P06746 2/20 0.48

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
SCHEMBL189681 0.86 MAPT (0.61) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL189476 0.77 MAPT (0.84) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL190020 0.76 MAPT (0.71) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
Tert-Butyl Formate SCHEMBL27778878 0.75 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL190236 0.74 KDM4E (0.71) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL188615 0.74 MAPT (0.64) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL189705 0.71 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL189642 0.70 ALDH1A1 (0.83) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL188898 0.70 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL190297 0.69 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1

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
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP claimed