SCHEMBL6265283

SCHEMBL6265283

N#CCNC(=O)C(CNC(=O)c1ccc(Cl)cc1)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.47
CTSL P07711 11/20 0.45
CTSK P43235 9/20 0.43
CTSS P25774 8/20 0.43
CTSV O60911 3/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC6A9 P48067 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
HPGD P15428 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
SCHEMBL6265583 0.91 CTSK (0.44) CTSBCTSLCTSKCTSS
SCHEMBL6265266 0.90 CTSK (0.57) CTSBCTSLCTSKCTSSCTSV
SCHEMBL6269260 0.84 CTSK (0.56) CTSBCTSLCTSKCTSS
SCHEMBL5528992 0.83 CTSK (0.58) CTSBCTSLCTSKCTSSCTSV
SCHEMBL6273683 0.81 CTSK (0.45) CTSBCTSLCTSKCTSSCTSV
SCHEMBL6271589 0.81 CTSK (0.44) CTSBCTSLCTSKCTSS
SCHEMBL6268827 0.80 CTSK (0.44) CTSBCTSLCTSKCTSSCTSV
SCHEMBL6269410 0.79 CTSK (0.45) CTSBCTSLCTSKCTSS
SCHEMBL6272591 0.79 JAK2 (0.54) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL6272481 0.78 CTSL (0.44) CTSBCTSLCTSKCTSSRAB9A

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-2005097103-A2 DIABETES AND METABOLIC SYNDROME THERAPY UTILIZING CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-10-20 WO claimed