SCHEMBL3726596

SCHEMBL3726596

[C]1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
ATAD2 Q6PL18 3/20 0.41
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
PRKCZ Q05513 1/20 0.32
CTSK P43235 1/20 0.32
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL3208271 0.90 BRD4 (0.39) BRD4ATAD2PIM1PIM2
SCHEMBL3027155 0.81 BRD4 (0.41) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL27809786 0.81 BRD4 (0.41) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL1277663 0.77 BRD4 (0.43) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL1277660 0.77 BRD4 (0.43) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL3025267 0.77 BRD4 (0.39) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL27787909 0.77 BRD4 (0.41) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL3025264 0.77 BRD4 (0.39) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL2930374 0.77 BRD4 (0.41) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL1277833 0.76 BRD4 (0.38) BRD4ATAD2KDM4EGAAMAPT

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