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SCHEMBL6464428

SCHEMBL6464428

CS(=O)(=O)C(CCNC(=O)C(CNC(=O)O)S(=O)(=O)Cc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 12/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ DAGLA Q9Y4D2 1/20 0.37
▸ XDH P47989 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TP53 P04637 1/20 0.36

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
SCHEMBL7046398 0.92 XDH (0.38) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL6464414 0.88 FAAH (0.38) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL7187232 0.87 CTSS (0.38) CTSSCYP3A4CYP2C9
SCHEMBL6468442 0.81 DAGLA (0.55) FAAHCES1DAGLAXDH
SCHEMBL7044356 0.81 CTSS (0.37) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL7049525 0.79 GART (0.38) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL6468432 0.78 GART (0.34) CTSSCYP3A4CYP2C9NPC1RAB9A
SCHEMBL7045925 0.77 CTSS (0.36) CTSSCYP3A4CYP2C9NPC1
SCHEMBL7114802 0.76 LMNA (0.38) CTSS
SCHEMBL7045927 0.76 CTSS (0.38) CTSSCYP3A4CYP2C9

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 — — EP disclosed