SCHEMBL4046840

SCHEMBL4046840

NC(=O)c1ccsc1C[C](C=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 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
SCHEMBL4038703 0.87 PARP1 (0.36) PARP1LMNAMAPTPKMF2
SCHEMBL6208713 0.75 PARP1 (0.36) PARP1LMNAF2F10PRSS1
SCHEMBL4044079 0.75 CTSL (0.33) PARP1
SCHEMBL4046219 0.75 PARP1 (0.35) PARP1LMNAF2F10PRSS1
SCHEMBL4040449 0.73 DPP4 (0.43) PARP1LMNAMAPTPKMF2
SCHEMBL4042202 0.73 PARP1 (0.30) PARP1
SCHEMBL4042160 0.73 PARP1 (0.34) PARP1LMNAPKMF2F10
SCHEMBL4044726 0.73 PARP1 (0.34) PARP1LMNAF2F10PRSS1
SCHEMBL6209170 0.73 PARP1 (0.35) PARP1LMNAPKMF2F10
SCHEMBL4045821 0.73 PARP1 (0.35) PARP1F2F10PRSS1

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed