SCHEMBL6563352

SCHEMBL6563352

C=CCc1nc(OC)[nH]c(=O)c1CC=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ DCTPP1 Q9H773 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.35
▸ HCAR2 Q8TDS4 3/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ CCNB3 Q8WWL7 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
SCHEMBL5907125 0.82 NPSR1 (0.41) NPSR1ALDH1A1HPGDDCTPP1KDM4E
SCHEMBL9024339 0.66 NPSR1 (0.70) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL5447243 0.64 NPSR1 (0.34) NPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL1203948 0.62 NPSR1 (0.55) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL4795379 0.62 NPSR1 (0.37) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL12956833 0.62 NPSR1 (0.70) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL3856069 0.61 NPSR1 (0.31) NPSR1ALDH1A1
SCHEMBL9024628 0.60 NPSR1 (0.60) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL10873326 0.60 — —
SCHEMBL10873320 0.60 — —

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
EP-0981958-B1 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEM RES (JP) 2004-03-31 — — EP disclosed
Send feedback