SCHEMBL6445490

SCHEMBL6445490

CS(=O)(=O)CC(NC(=O)NCCc1ccccc1)C(=O)NCCC#N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
CTSS P25774 4/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 2/20 0.43
CTSL P07711 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL6445396 0.92 ANPEP (0.54) ANPEPKMT2AMEN1TSHRPSMB1
SCHEMBL6020101 0.90 ANPEP (0.48) ANPEPCTSSCTSKCTSBCTSL
SCHEMBL6444345 0.85 ANPEP (0.54) ANPEPKMT2AMEN1TSHRPSMB1
SCHEMBL6445458 0.85 KMT2A (0.67) ANPEPKMT2APSMB1PSMB5PSMB2
SCHEMBL6021221 0.83 CASR (0.45) KMT2AMEN1PSMB1PSMB5PSMB2
SCHEMBL6019230 0.82 CTSL (0.63) CTSSCTSKCTSBCTSL
SCHEMBL6021520 0.82 CTSB (0.44) CTSSCTSKCTSBCTSL
SCHEMBL6020675 0.81 CTSB (0.45) ANPEPCTSSCTSKCTSBCTSL
SCHEMBL6019506 0.81 CTSS (0.53) ANPEPCTSSCTSKCTSBCTSL
SCHEMBL6442637 0.80 KMT2A (0.61) KMT2APSMB1PSMB5PSMB2CTSS

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-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed