SCHEMBL16133243

SCHEMBL16133243

c1ccc(-c2cccc3c2sc2c(-c4ccc5c(c4)c4ccccc4c4cc6c7ccccc7c7ccccc7c6cc54)cccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
LIMK1 P53667 3/20 0.47
F9 P00740 1/20 0.39
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PRKDC P78527 1/20 0.36
TDO2 P48775 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MCL1 Q07820 2/20 0.34
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK5 Q00535 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL10018844 0.98 ALOX5 (0.50) ALOX5LIMK1F9CYP1A1CYP1B1
SCHEMBL16133237 0.97 ALOX5 (0.47) ALOX5LIMK1F9CYP1A1CYP1B1
SCHEMBL30021090 0.97 ALOX5 (0.49) ALOX5LIMK1F9CYP1A1CYP1B1
SCHEMBL17775867 0.97 ALOX5 (0.49) ALOX5LIMK1F9CYP1A1CYP1B1
SCHEMBL17425481 0.97 ALOX5 (0.49) ALOX5LIMK1F9CYP1A1CYP1B1
SCHEMBL1687987 0.95 ALOX5 (0.48) ALOX5LIMK1F9CYP1A1CYP1B1
SCHEMBL17057262 0.93 ALOX5 (0.47) ALOX5LIMK1F9CYP1A1CYP1B1
SCHEMBL16133166 0.93 ALOX5 (0.47) ALOX5LIMK1F9CYP1A1CYP1B1
SCHEMBL17425730 0.93 ALOX5 (0.47) ALOX5LIMK1F9CYP1A1CYP1B1
SCHEMBL17167408 0.93 LIMK1 (0.47) ALOX5LIMK1F9CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9997712-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-06-12 US disclosed
US-9997712-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-06-12 US disclosed
US-20140291638-A1 HOST MATERIALS FOR OLED APPLICATION UNIVERSAL DISPLAY CORPORATION (US) 2014-10-02 US disclosed
US-20140291638-A1 HOST MATERIALS FOR OLED APPLICATION UNIVERSAL DISPLAY CORPORATION (US) 2014-10-02 US disclosed