SCHEMBL28967710

SCHEMBL28967710

O=Cc1cccc(N2CCNC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FGFR1 P11362 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALOX5 P09917 4/20 0.38
HCRTR1 O43613 1/20 0.37
CYP2C9 P11712 3/20 0.36
HTR7 P34969 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL30179407 1.00 PRMT1 (0.42) PRMT1ALDH1A1FGFR1DDB1CRBN
SCHEMBL12651236 0.84 HTR7 (0.43) ALDH1A1ALOX5CYP2C9HTR7CYP3A4
SCHEMBL1787047 0.80 ALDH1A1 (0.51) ALDH1A1DDB1CRBNALOX5MEN1
SCHEMBL13060961 0.80 TRIM24 (0.48) ALDH1A1DDB1CRBNPOLB
SCHEMBL23173798 0.78 CRBN (0.66) PRMT1ALDH1A1FGFR1DDB1CRBN
SCHEMBL1965858 0.78 DDB1 (0.61) ALDH1A1DDB1CRBNALOX5HCRTR1
SCHEMBL7344849 0.78 ALOX5 (0.59) ALDH1A1ALOX5CYP2C9HTR7CYP3A4
SCHEMBL5056229 0.78 ALOX5 (0.50) ALDH1A1DDB1CRBNALOX5HCRTR1
SCHEMBL150081 0.77 ALOX5 (0.60) ALOX5DRD2DRD3MEN1POLB
SCHEMBL18367729 0.77 ALDH1A1 (0.46) PRMT1ALDH1A1FGFR1DDB1CRBN

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-115772175-A Thieno-ring compounds, process for their preparation and their use 中国科学院分子细胞科学卓越创新中心 2023-03-10 CN disclosed