SCHEMBL17640348

SCHEMBL17640348

CC1(C)c2ccccc2-c2cc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
LIMK1 P53667 1/20 0.35
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
MAPT P10636 6/20 0.34
HPGD P15428 5/20 0.34
ALDH1A1 P00352 5/20 0.34
TDO2 P48775 1/20 0.34
KDM4E B2RXH2 4/20 0.33
LMNA P02545 4/20 0.33
ATM Q13315 2/20 0.33
GLA P06280 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
ABCB1 P08183 1/20 0.32
CYP1A2 P05177 5/20 0.31
CYP3A4 P08684 5/20 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
SCHEMBL17425727 0.98 LIMK1 (0.36) ALOX5LIMK1MEN1KMT2AMAPT
SCHEMBL17640303 0.96 LIMK1 (0.38) ALOX5LIMK1MEN1KMT2AMAPT
SCHEMBL17425597 0.94 LIMK1 (0.36) ALOX5LIMK1MEN1KMT2AMAPT
SCHEMBL17425595 0.94 LIMK1 (0.37) ALOX5LIMK1MEN1KMT2AMAPT
SCHEMBL17640463 0.93 MEN1 (0.34) ALOX5LIMK1MEN1KMT2AMAPT
SCHEMBL17425724 0.93 LIMK1 (0.36) ALOX5LIMK1MEN1KMT2AMAPT
SCHEMBL17640297 0.93 ALOX5 (0.36) ALOX5LIMK1MEN1KMT2AMAPT
SCHEMBL17640358 0.93 ALOX5 (0.36) ALOX5LIMK1MEN1KMT2AMAPT
SCHEMBL30021301 0.93 ALOX5 (0.36) ALOX5LIMK1MEN1KMT2AMAPT
SCHEMBL17640301 0.92 ALOX5 (0.36) ALOX5LIMK1MEN1KMT2AMAPT

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