SCHEMBL28420664

SCHEMBL28420664

Brc1ccc(N2c3ccccc3Oc3ccccc32)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.44
▸ HTT P42858 1/20 0.38
▸ P2RX4 Q99571 11/20 0.37
▸ AHR P35869 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL23660835 0.85 AHR (0.46) HTR6HTTAHR
SCHEMBL29829444 0.79 MGLL (0.50) P2RX4AHRALOX5MGLL
SCHEMBL16604412 0.79 MGLL (0.50) P2RX4AHRALOX5MGLL
SCHEMBL24893448 0.77 AHR (0.42) P2RX4AHRALOX5MGLL
SCHEMBL18770825 0.76 POLB (0.52) HTR6P2RX4
SCHEMBL30867065 0.76 POLB (0.52) HTR6P2RX4
SCHEMBL17127115 0.75 P2RX4 (0.34) P2RX4
SCHEMBL17155534 0.75 KDM4E (0.40) HTTP2RX4
SCHEMBL20444379 0.75 ALDH1A1 (0.35) HTR6P2RX4MGLL
SCHEMBL20444380 0.73 POLB (0.42) HTR6P2RX4MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107056758-B Compound with acridine spiroanthrone as core and application thereof in organic electroluminescent device 中节能万润股份有限公司 2020-06-09 — — CN disclosed
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