SCHEMBL20206828

SCHEMBL20206828

COCCOCc1ncc(C)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
POLB P06746 1/20 0.32
ALOX5 P09917 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL20201753 0.84 ALOX5 (0.37) ALDH1A1GAAGABRA1GABRG2GABRB3
SCHEMBL23367694 0.79 CACNA1H (0.35) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL20204735 0.78 BRS3 (0.34)
SCHEMBL4606408 0.74 MMP2 (0.41) ALDH1A1GAA
SCHEMBL4606648 0.73 MMP2 (0.52) ALDH1A1GAAGABRA1GABRG2GABRB3
SCHEMBL2282179 0.68
Hydrochloric Acid SCHEMBL4228688 0.65
SCHEMBL22871224 0.65 TSHR (0.42) ALDH1A1TSHR
SCHEMBL25646251 0.64 SYK (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21325358 0.62 BRS3 (0.34)

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-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed