SCHEMBL6317532

SCHEMBL6317532

C(=Cc1ccc2ccc3cccc4ccc1c2c34)c1nc2ccccc2nc1C=Cc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ AHR P35869 1/20 0.46
▸ GUSB P08236 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL28292265 0.83 GUSB (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16593375 0.80 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16593373 0.80 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL131581 0.79 RELA (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31550572 0.79 RELA (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL131580 0.79 RELA (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL9407210 0.78 ALDH1A1 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL9099842 0.78 ALDH1A1 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31550568 0.77 NPC1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31550567 0.77 NPC1 (0.52) CYP1A2ERBB2FYNMAOAACHE

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-6921589-B2 Electroluminescent elements TORAY INDUSTRIES, INC. (JP) 2005-07-26 — — US disclosed
US-20020160227-A1 Electroluminescent elements KOHAMA AKIRA (JP) 2002-10-31 — — US disclosed
EP-1000998-B1 Electroluminescent element and devices TORAY INDUSTRIES (JP) 2002-10-09 — — EP disclosed
EP-1000998-A1 Electroluminescent element and devices TORAY INDUSTRIES, INC. (JP) 2000-05-17 — — EP disclosed
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