SCHEMBL29610229

SCHEMBL29610229

CCCCC1CN=Cc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 7/20 0.39
▸ POLB P06746 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ HPGD P15428 1/20 0.32

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
SCHEMBL20265949 0.84 THRB (0.34) POLBESR2
SCHEMBL30124141 0.73 BRD4 (0.40) HPGD
SCHEMBL5008374 0.71 CYSLTR2 (0.34) —
SCHEMBL10366459 0.70 HRH3 (0.44) GRM2POLBESR2
SCHEMBL12602022 0.70 POLB (0.59) POLBESR2ALOX5HPGD
SCHEMBL8510380 0.68 CA2 (0.50) —
SCHEMBL9532685 0.67 POLB (0.38) GRM2POLBESR2ALOX5HPGD
SCHEMBL31619269 0.67 TRPA1 (0.34) —
SCHEMBL30236022 0.67 CYP2A6 (0.36) —
SCHEMBL29489983 0.66 PDGFRB (0.34) POLB

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
WO-2022080576-A1 COMPOSITION COMPRISING PMCA INHIBITOR FOR TREATMENT OF CORONAVIRUS INFECTION OR INFECTIOUS DISEASES 김홍렬 2022-04-21 — — WO disclosed
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