SCHEMBL5820155

SCHEMBL5820155

Oc1cccc2sc([AsH2])nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.61
DYRK1A Q13627 1/20 0.50
APP P05067 1/20 0.47
ACHE P22303 1/20 0.43
RET P07949 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
METAP2 P50579 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
MMP2 P08253 1/20 0.39
CHRM1 P11229 1/20 0.39
COMT P21964 1/20 0.39
ADRA1A P35348 1/20 0.39
METAP1 P53582 1/20 0.39

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
SCHEMBL3622776 0.80 PDPK1 (0.61) PDPK1DYRK1AAPPACHERET
SCHEMBL6544062 0.79 PDPK1 (0.66) PDPK1DYRK1AAPPACHERET
SCHEMBL17987894 0.76 PDPK1 (0.61) PDPK1DYRK1AAPPACHERET
SCHEMBL5432001 0.76 PDPK1 (0.61) PDPK1DYRK1AAPPACHERET
SCHEMBL74065 0.76 PDPK1 (1.00) PDPK1DYRK1AAPPACHERET
SCHEMBL5339377 0.76 ALDH1A1 (0.61) ALDH1A1RAB9AKMT2AGAATSHR
SCHEMBL6692558 0.76 LMNA (0.61) ALDH1A1RAB9AKMT2AGAATSHR
SCHEMBL29951795 0.74 PDPK1 (0.59) PDPK1DYRK1AAPPACHERET
SCHEMBL24287678 0.73 PDPK1 (0.58) PDPK1DYRK1AAPPACHERET
SCHEMBL483414 0.72 APP (0.68) PDPK1DYRK1AAPPRETFLT1

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-2006089311-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-08-24 WO disclosed