SCHEMBL2716403

SCHEMBL2716403

CC(C)(C)OC(=O)N(N)C(C=O)CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.36
CTSS P25774 2/20 0.36
AAK1 Q2M2I8 1/20 0.32
NR1H2 P55055 1/20 0.31
KMT2A Q03164 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL16215527 0.80 CTSK (0.38) CTSKCTSSAAK1NR1H2KMT2A
SCHEMBL1424364 0.77 CTSK (0.40) CTSKCTSS
SCHEMBL4974217 0.76 CTSS (0.34) CTSKCTSS
SCHEMBL4973031 0.73 CTSK (0.41) CTSKCTSS
SCHEMBL4973036 0.73 CTSK (0.41) CTSKCTSS
SCHEMBL7468074 0.71 CTSK (0.33) CTSKHDAC6
SCHEMBL1782688 0.69 ALOX5 (0.38) CTSKCTSSNR1H2KMT2AHDAC6
SCHEMBL9102349 0.69 ANPEP (0.33) CTSKCTSS
SCHEMBL30453432 0.69 CTSS (0.36) CTSKCTSSAAK1NR1H2KMT2A
SCHEMBL8269704 0.69 CTSS (0.36) CTSKCTSSAAK1NR1H2KMT2A

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-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed