SCHEMBL5495326

SCHEMBL5495326

[CH2]c1ccc(NC(=O)CN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
TERT O14746 2/20 0.53
TAAR1 Q96RJ0 1/20 0.51
LTA4H P09960 1/20 0.51
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL6934242 0.81 RAB9A (0.61) CA1CA2TERTTAAR1LTA4H
SCHEMBL3659521 0.81 CA1 (0.61) CA1CA2TERTTAAR1LTA4H
SCHEMBL6934094 0.79 GAA (0.61) CA1CA2POLBMEN1KMT2A
SCHEMBL7813510 0.79 CA1 (0.59) CA1CA2TERTTAAR1LTA4H
SCHEMBL8039353 0.79 POLB (0.73) CA1CA2TERTPOLBMEN1
SCHEMBL15061798 0.79 CA1 (0.59) CA1CA2TERTTAAR1POLB
SCHEMBL7800005 0.79 NPC1 (0.63) POLBMEN1KMT2ALMNAMAPT
SCHEMBL7445670 0.79 KMT2A (0.73) CA1CA2TERTTAAR1LTA4H
SCHEMBL2475631 0.79 NPC1 (0.61) CA1CA2TERTTAAR1LTA4H
SCHEMBL1356115 0.79 KMT2A (0.50) POLBMEN1KMT2ALMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294615-B1 Compounds that associate on the intermolecular level and aggregate bodies that contain them Bovin, Nikolai Vladimirovich (RU) 2007-11-13 US disclosed
EP-1223984-A2 COMPOUNDS THAT ASSOCIATE ON THE INTERMOLECULAR LEVEL AND AGGREGATE BODIES THAT CONTAIN THEM Syntesome Gesellschaft Fur Med. Biochemie M.B.H. (DE) 2002-07-24 EP disclosed
WO-2001002018-A2 COMPOUNDS THAT ASSOCIATE ON THE INTERMOLECULAR LEVEL AND AGGREGATE BODIES THAT CONTAIN THEM SYNTESOME GESELLSCHAFT FÜR MEDIZINISCHE BIOCHEMIE MBH (DE) 2001-01-11 WO disclosed