SCHEMBL4566692

SCHEMBL4566692

CNCCCC(=O)N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACHE P22303 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL12435378 0.98 ATM (0.65) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL21568856 0.91 L3MBTL1 (0.61) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL20693526 0.88 ATM (0.56) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL12446607 0.88 ATM (0.56) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL13188548 0.86 ATM (0.58) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL18909475 0.82 ATM (0.52) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL13974287 0.81 GNAI3 (0.44) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL13220569 0.81 ATM (0.59) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL19574089 0.81 ATM (0.95) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL28366947 0.81 ATM (0.85) ATMKMT2AMEN1L3MBTL1TDP1

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-2132174-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS The Medicines Company (Leipzig) GmbH (DE) 2009-12-16 EP claimed
WO-2008107176-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-09-12 WO claimed