SCHEMBL17640482

SCHEMBL17640482

c1ccc(-c2ccc3sc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)nccc4c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.47
ROCK1 Q13464 1/20 0.42
PIM3 Q86V86 2/20 0.38
TDO2 P48775 4/20 0.38
HTR2B P41595 2/20 0.38
HTR5A P47898 2/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PIK3CA P42336 1/20 0.36
BCHE P06276 2/20 0.36
RIPK2 O43353 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
TGFBR1 P36897 1/20 0.36
ALK Q9UM73 1/20 0.35
IDO1 P14902 2/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
PLG P00747 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
SCHEMBL13245724 0.97 LIMK1 (0.45) LIMK1ROCK1PIM3TDO2HTR2B
SCHEMBL17640479 0.96 LIMK1 (0.45) LIMK1ROCK1PIM3TDO2HTR2B
SCHEMBL13245712 0.89 ALOX5 (0.41) LIMK1ROCK1PIM3TDO2HTR2B
SCHEMBL13245718 0.89 ALOX5 (0.41) LIMK1ROCK1TDO2HTR2BHTR5A
SCHEMBL11941214 0.84 LIMK1 (0.40) LIMK1ROCK1PIM3TDO2HTR2B
SCHEMBL20735557 0.84 ALOX5 (0.41) LIMK1TDO2HTR2BHTR5AIDO1
SCHEMBL13245702 0.83 LIMK1 (0.34) LIMK1ROCK1
SCHEMBL11941210 0.83 LIMK1 (0.38) LIMK1ROCK1PIM3TDO2HTR2B
SCHEMBL13245701 0.82 KDM4E (0.32) LIMK1
SCHEMBL16582800 0.81 ALOX5 (0.42) LIMK1TDO2HTR2BHTR5AIDO1

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
US-20160093808-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-03-31 US disclosed