SCHEMBL16133167

SCHEMBL16133167

c1cc(-c2cc3c4ccccc4c4cccc5c6ccccc6c(c2)c3c45)cc(-c2cccc3c2sc2c4ccccc4ccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.45
CYP1B1 Q16678 5/20 0.45
CYP1A2 P05177 5/20 0.40
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
THRB P10828 1/20 0.36
HPRT1 P00492 3/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LIMK1 P53667 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
SCHEMBL16133173 0.95 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2ALOX5ALDH1A1
SCHEMBL16133165 0.92 CYP1B1 (0.46) CYP1A1CYP1B1CYP1A2ALOX5ALDH1A1
SCHEMBL16133168 0.90 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2ALOX5ALDH1A1
SCHEMBL15893355 0.90 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2ALOX5HPRT1
SCHEMBL15893358 0.90 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2ALOX5HPRT1
SCHEMBL16133233 0.89 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2ALOX5HPRT1
SCHEMBL15893356 0.89 CYP1B1 (0.47) CYP1A1CYP1B1CYP1A2ALOX5ALDH1A1
SCHEMBL16133159 0.87 LIMK1 (0.43) CYP1A1CYP1B1ALOX5ALDH1A1HPGD
SCHEMBL17167422 0.86 CYP1B1 (0.45) CYP1A1CYP1B1CYP1A2ALOX5ALDH1A1
SCHEMBL17167415 0.86 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2ALOX5HPRT1

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