SCHEMBL6528862

SCHEMBL6528862

CN1C(=O)N(c2cccc3ccccc23)C(=O)C1COC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 1/20 0.43
ELANE P08246 1/20 0.42
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.38
DDAH1 O94760 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GSK3B P49841 3/20 0.36
GSK3A P49840 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
RECQL P46063 1/20 0.36
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
HTR1A P08908 1/20 0.33

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
SCHEMBL6528021 0.83 MAPT (0.48) MAPTALDH1A1HSD17B10PKMHPGD
SCHEMBL14440687 0.81 AR (0.49)
SCHEMBL6529741 0.69 MAPT (0.47) MAPTALDH1A1HSD17B10PKMHPGD
SCHEMBL14440681 0.69 AR (0.49)
SCHEMBL5640316 0.69 AR (0.49)
SCHEMBL14440698 0.66 AR (0.53)
SCHEMBL11717686 0.64 DDAH1 (0.53) MAPTALDH1A1HSD17B10PKMHPGD
SCHEMBL31473141 0.62 CAPN1 (0.35) ALDH1A1
SCHEMBL5806481 0.62 DDAH1 (0.48) MAPTALDH1A1HSD17B10PKMHPGD
SCHEMBL4037215 0.62 AR (0.57) MAPTALDH1A1HSD17B10PKMHPGD

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
WO-2005049580-A1 MONOCYCLIC N-ARYL HYDANTOIN MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed