SCHEMBL7583452

SCHEMBL7583452

NS(=O)(=O)CCCC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
HDAC1 Q13547 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
HSD11B1 P28845 1/20 0.56
NPC1 O15118 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
SENP8 Q96LD8 1/20 0.55

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
SCHEMBL31356885 0.89 HSD11B1 (0.65) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL15339729 0.81 TDP1 (0.62) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL1052631 0.80 TDP1 (0.86) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL7068671 0.80 TDP1 (0.95) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL29260545 0.79 TDP1 (0.58) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL29048465 0.78 TDP1 (0.68) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL27516050 0.78 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL8519287 0.78 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL9057671 0.78 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL9451264 0.77 TDP1 (0.56) TDP1L3MBTL1MAPTLMNAHDAC1

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-1240352-A2 MOLECULES DERIVED FROM MECHANISM BASED DRUG DESIGN eXegenics Inc. (US) 2002-09-18 EP disclosed
WO-2001045836-A2 MOLECULES DERIVED FROM MECHANISM BASED DRUG DESIGN CYTOCLONAL PHARMACEUTICS, INC. (US) 2001-06-28 WO disclosed