SCHEMBL15089150

SCHEMBL15089150

Ic1ccc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.45
PIM3 Q86V86 2/20 0.44
ROCK1 Q13464 1/20 0.40
F9 P00740 2/20 0.39
PIK3CA P42336 1/20 0.39
PI4KA P42356 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
GPR3 P46089 1/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ALOX5 P09917 1/20 0.36
JAK2 O60674 1/20 0.36
TRIM58 Q8NG06 1/20 0.36
MAP4K4 O95819 1/20 0.35
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 2/20 0.34
AXL P30530 1/20 0.34
CDK8 P49336 1/20 0.34
TNIK Q9UKE5 1/20 0.34

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
SCHEMBL23722415 0.94 LIMK1 (0.44) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL21170629 0.91 GPR3 (0.52) LIMK1PIM3GPR3ALOX5PTPN1
SCHEMBL17197600 0.91 GPR3 (0.52) LIMK1PIM3GPR3ALOX5PTPN1
SCHEMBL14296006 0.90 LIMK1 (0.51) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL3156901 0.90 LIMK1 (0.51) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL29828944 0.90 LIMK1 (0.51) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL14410442 0.86 LIMK1 (0.49) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL17320263 0.86 LIMK1 (0.49) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL22375306 0.86 LIMK1 (0.49) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL13979503 0.86 LIMK1 (0.49) LIMK1PIM3ROCK1F9PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed