SCHEMBL1745315

SCHEMBL1745315

NC(=O)c1c[c]cc2sc(C3CC(N4CCCCC4)C3)nc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.34
HRH3 Q9Y5N1 4/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL15327730 1.00 PARP1 (0.34) PARP1HRH3ALDH1A1GAAKMT2A
SCHEMBL15327788 1.00 PARP1 (0.34) PARP1HRH3ALDH1A1GAAKMT2A
SCHEMBL3756193 0.70 KDM4E (0.32) PARP1ALDH1A1PARP2
SCHEMBL4250864 0.69 PDPK1 (0.38) PARP1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL3178005 0.68 NPC1 (0.34) PARP1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL4638534 0.68
SCHEMBL3759067 0.68 LMNA (0.38) PARP1HRH3
SCHEMBL3753729 0.66 LMNA (0.36) PARP1HRH3PARP2
SCHEMBL3748780 0.64 IKBKB (0.38) HRH3SMN1; SMN2
SCHEMBL3750058 0.64 PARP14 (0.34) PARP1ALDH1A1

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-1926729-B1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LAB (US) 2011-12-21 EP claimed
EP-2386556-B1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands ABBVIE INC (US) 2013-10-23 EP disclosed
EP-2386556-A1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands Abbott Laboratories (US) 2011-11-16 EP disclosed
US-20110254413-A1 CASING OF ELECTRONIC DEVICE AND MANUFACTURING METHOD THEREOF ASUSTEK COMPUTER INC. (TW) 2011-10-20 US disclosed