SCHEMBL2364441

SCHEMBL2364441

CCCNc1nc(C(=O)NCCC(=O)OC)c(NCCC)nc1C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
LATS1 O95835 1/20 0.38
BCHE P06276 1/20 0.38
BRD4 O60885 11/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL2846431 0.92 STK17B (0.45) STK17BSTK17AGAALATS1BCHE
SCHEMBL16748723 0.89 STK17B (0.41) STK17BSTK17AGAAKDM4EALDH1A1
SCHEMBL13531612 0.88 STK17B (0.46) STK17BSTK17AGAALATS1BCHE
SCHEMBL2838329 0.85 BCHE (0.48) STK17BSTK17AGAAALDH1A1LATS1
SCHEMBL2223389 0.82 GABRG2 (0.34) KDM4EALDH1A1GLAMAPTHPGD
SCHEMBL2842705 0.80 STK17B (0.47) STK17BSTK17AGAALATS1BCHE
SCHEMBL1256643 0.76 TDP1 (0.55) GAAKDM4EALDH1A1GLAMAPT
Hydrochloric Acid SCHEMBL30168325 0.75 TDP1 (0.53) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL13510973 0.74 TDP1 (0.41) STK17BSTK17AGAAALDH1A1BCHE
SCHEMBL2849313 0.73 BCHE (0.48) GAAMAPTBCHEBRD4MEN1

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
WO-2011084571-A2 AZIDE DERIVATIVES FOR PHOTOTHERAPY MALLINCKRODT INC. (US) 2011-07-14 WO disclosed
WO-2011084571-A2 AZIDE DERIVATIVES FOR PHOTOTHERAPY MALLINCKRODT INC. (US) 2011-07-14 WO disclosed