SCHEMBL5221465

SCHEMBL5221465

NC(=O)Cc1nc2c(O)cccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
DYRK1A Q13627 1/20 0.49
AKR1B1 P15121 1/20 0.48
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
F2 P00734 1/20 0.41
PIM1 P11309 1/20 0.41
APP P05067 1/20 0.40
RET P07949 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL2091652 0.83 ALDH1A1 (0.53) MEN1HPGDKMT2AALDH1A1MAPT
SCHEMBL2091031 0.80 TDP1 (0.56) DYRK1AAKR1B1MEN1HPGDKMT2A
SCHEMBL24287678 0.78 PDPK1 (0.58) PDPK1DYRK1AAKR1B1MEN1HPGD
SCHEMBL77032 0.76 KMT2A (0.68) MEN1HPGDKMT2AALDH1A1MAPT
SCHEMBL1039915 0.76 PDPK1 (0.59) PDPK1DYRK1AAKR1B1HPGDKMT2A
SCHEMBL12748196 0.73 PDPK1 (0.51) PDPK1DYRK1AAKR1B1MEN1HPGD
SCHEMBL6717566 0.72 NPC1 (0.64) MEN1HPGDKMT2AALDH1A1MAPT
SCHEMBL74065 0.71 PDPK1 (1.00) PDPK1DYRK1AALDH1A1APPRET
SCHEMBL6544062 0.70 PDPK1 (0.66) PDPK1DYRK1AAKR1B1MEN1HPGD
SCHEMBL8361492 0.70 PDPK1 (0.47) PDPK1DYRK1AAKR1B1MEN1KMT2A

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-1745034-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-01-24 EP disclosed
WO-2005077938-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-08-25 WO disclosed