SCHEMBL6063277

SCHEMBL6063277

Cc1csc(C(=O)N(CCCc2ccccc2)C(=O)N(CCC(C)C)C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.36
BCHE P06276 1/20 0.34
LTB4R Q15722 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CPS1 P31327 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7043165 0.89 MAPK1 (0.38) LMNAPKMHPGDBCHEOPRM1
SCHEMBL6464471 0.75 PLA2G4A (0.50) LMNAPKMBCHELTB4RSIGMAR1
SCHEMBL6475520 0.75 DAGLA (0.50)
SCHEMBL6468396 0.74 LMNA (0.37) LMNAPKMHPGDOPRM1OPRD1
SCHEMBL6466391 0.72 LMNA (0.35) LMNAPKMHPGDOPRM1OPRD1
SCHEMBL7567535 0.72 DAGLA (0.43) LMNAPKM
SCHEMBL6467199 0.69 DAGLA (0.41) LMNAPKMHPGDGAAMAPK1
SCHEMBL20662525 0.69 PLA2G4A (0.59) MAPT
SCHEMBL6467926 0.69 DAGLA (0.44) LMNAPKMHPGDPOLBGAA
SCHEMBL6467552 0.67 DAGLA (0.51)

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-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed