SCHEMBL17640306

SCHEMBL17640306

CC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)cccc34)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
PDK2 Q15119 7/20 0.34
LIMK1 P53667 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TDO2 P48775 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NTSR1 P30989 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL17640307 0.99 PDK2 (0.36) ALOX5PDK2LIMK1MEN1KMT2A
SCHEMBL17640468 0.99 PDK2 (0.36) ALOX5PDK2LIMK1MEN1KMT2A
SCHEMBL17425714 0.99 LIMK1 (0.36) ALOX5PDK2LIMK1MEN1KMT2A
SCHEMBL29985740 0.99 LIMK1 (0.36) ALOX5PDK2LIMK1MEN1KMT2A
SCHEMBL17425707 0.99 PDK2 (0.36) ALOX5PDK2LIMK1MEN1KMT2A
SCHEMBL30021301 0.99 ALOX5 (0.36) ALOX5PDK2LIMK1MEN1KMT2A
SCHEMBL17640358 0.99 ALOX5 (0.36) ALOX5PDK2LIMK1MEN1KMT2A
SCHEMBL17640297 0.99 ALOX5 (0.36) ALOX5PDK2LIMK1MEN1KMT2A
SCHEMBL17640304 0.98 PDK2 (0.36) ALOX5PDK2LIMK1MEN1KMT2A
SCHEMBL17425487 0.98 LIMK1 (0.37) ALOX5PDK2LIMK1MEN1KMT2A

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
US-20170054087-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-02-23 US disclosed
US-20160093808-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-03-31 US disclosed