SCHEMBL7052930

SCHEMBL7052930

C=CC(=O)NCCC(=O)c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.34
TGM2 P21980 3/20 0.33
GAA P10253 1/20 0.33
TBXAS1 P24557 2/20 0.32
HSPA5 P11021 1/20 0.32

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
SCHEMBL6314871 0.91 ZDHHC20 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL6321087 0.79 NPC1 (0.37) TSHRNPC1RAB9AKMT2ATBXAS1
SCHEMBL7198930 0.77 TERT (0.49) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL1237700 0.77 NPC1 (0.43) ALDH1A1NPC1RAB9AKMT2ATBXAS1
SCHEMBL432450 0.76 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AKMT2A
SCHEMBL435392 0.75 TBXAS1 (0.50) ZDHHC20ZDHHC2GAATBXAS1
SCHEMBL8736180 0.75 TBXAS1 (0.47) ALDH1A1TDP1NPC1RAB9AKMT2A
SCHEMBL29163121 0.74 NPC1 (0.47) ALDH1A1NPC1RAB9AKMT2ATBXAS1
SCHEMBL5580447 0.74 TBXAS1 (0.42) ALDH1A1TSHRNPC1RAB9AKMT2A
SCHEMBL27993527 0.74 TBXAS1 (0.52) ZDHHC20ZDHHC2TGM2GAATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303566-A1 SUPERPARAMAGNETIC PEARL POLYMERS Bayer Aktiengesellschaft (DE) 2003-04-23 EP disclosed
WO-2002004555-A1 SUPERPARAMAGNETIC PEARL POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2002-01-17 WO disclosed
EP-1155026-A2 METHOD FOR ISOLATING NUCLEIC ACIDS Bayer Aktiengesellschaft (DE) 2001-11-21 EP disclosed
WO-2000049031-A2 METHOD FOR ISOLATING NUCLEIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2000-08-24 WO disclosed