SCHEMBL7426317

SCHEMBL7426317

CC(C)CC(NC(=O)O)C(=O)N(C1CCCNC[C@@H]1O)S(=O)(=O)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.37
CTSL P07711 9/20 0.37
CTSS P25774 9/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.35
CTSB P07858 3/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSV O60911 2/20 0.34
RPLP1 P05386 2/20 0.34
RPLP0 P05388 2/20 0.34
RPS17 P08708 2/20 0.34
RPSA P08865 2/20 0.34
RPS2 P15880 2/20 0.34
RPL35A P18077 2/20 0.34
RPL7 P18124 2/20 0.34

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
SCHEMBL5971691 0.89 MAPK1 (0.36) CTSKCTSLCTSSSMN1; SMN2MAPK1
SCHEMBL7534924 0.88 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL6214152 0.86 CTSK (0.37) CTSKCTSLCTSSSMN1; SMN2MAPK1
SCHEMBL7428041 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL7435423 0.86 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6764532 0.86 CTSK (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7431508 0.85 MC4R (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7538204 0.81 TAS1R3 (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5971129 0.80 REN (0.41) CTSKCTSLCTSSMAPK1KMT2A
SCHEMBL6591072 0.80 PTGDR2 (0.33) RPLP1RPLP0RPS17RPSARPS2

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-2001034157-A9 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-05-10 WO disclosed