SCHEMBL20172145

SCHEMBL20172145

Nc1cccc2sc3cccnc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.47
CLK1 P49759 1/20 0.47
ALDH1A1 P00352 3/20 0.37
HSP90AA1 P07900 3/20 0.37
LMNA P02545 3/20 0.37
HSP90AB1 P08238 2/20 0.37
PDE10A Q9Y233 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDPK1 O15530 1/20 0.37
IDO1 P14902 1/20 0.37
PSMB5 P28074 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL24055645 0.78 LMNA (0.44) LIMK1CLK1ALDH1A1HSP90AA1LMNA
SCHEMBL16919879 0.78 ALDH1A1 (0.49) LIMK1CLK1ALDH1A1HSP90AA1LMNA
SCHEMBL25868145 0.77 LIMK1 (0.41) LIMK1CLK1ALDH1A1HSP90AA1LMNA
SCHEMBL10054253 0.77 LIMK1 (0.57) LIMK1CLK1ALDH1A1HSP90AA1LMNA
SCHEMBL3875482 0.77 ALDH1A1 (0.41) ALDH1A1LMNAPDE10ASMN1; SMN2PDPK1
SCHEMBL20172382 0.75 LIMK1 (0.44) LIMK1CLK1ALDH1A1HSP90AA1LMNA
SCHEMBL20308228 0.75 LIMK1 (0.53) LIMK1CLK1ALDH1A1HSP90AA1LMNA
SCHEMBL21237828 0.74 LIMK1 (0.37) LIMK1CLK1ALDH1A1HSP90AA1LMNA
SCHEMBL22373979 0.73 LIMK1 (0.41) LIMK1CLK1ALDH1A1HSP90AA1LMNA
SCHEMBL26445291 0.72 HSP90AA1 (0.41) LIMK1CLK1ALDH1A1HSP90AA1LMNA

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
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed