SCHEMBL3728600

SCHEMBL3728600

O=C(O)C(CC(=O)N1CCOCC1)[C@@H]1CSC(c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)=N1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
CTSS P25774 3/20 0.31
LRRK2 Q5S007 1/20 0.31
TTK P33981 1/20 0.30

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
SCHEMBL3027139 0.87 LRRK2 (0.32) LRRK2TTK
SCHEMBL3268644 0.86 LRRK2 (0.33) MAPTLRRK2TTK
SCHEMBL1277673 0.85 TTK (0.36) MAPTLRRK2TTK
SCHEMBL1277678 0.85 TTK (0.36) MAPTLRRK2TTK
SCHEMBL15005710 0.83 LRRK2 (0.32) MAPTLRRK2TTK
SCHEMBL15005401 0.82 LRRK2 (0.31) LRRK2
SCHEMBL1277591 0.81 TTK (0.33) LRRK2TTK
SCHEMBL1277587 0.81 TTK (0.33) LRRK2TTK
SCHEMBL3024171 0.81
SCHEMBL3024165 0.81

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-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO disclosed