SCHEMBL7722548

SCHEMBL7722548

COC(=O)CCc1ccc2c(c1)NC(=S)C1CCCC21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
EGFR P00533 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN1 P18031 2/20 0.34
BRD4 O60885 1/20 0.34
ALOX5 P09917 1/20 0.34
OR51E2 Q9H255 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
PDE4D Q08499 1/20 0.34
IDH1 O75874 3/20 0.33

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
SCHEMBL6069805 0.87 HRH3 (0.40) HRH3SIRT2EPHX2MEN1KMT2A
SCHEMBL6070089 0.79 HRH3 (0.41) HRH3SIRT2EPHX2MEN1KMT2A
SCHEMBL6641184 0.73 NOS1 (0.56) SIRT2
SCHEMBL6137668 0.72 FFAR4 (0.39) HRH3
SCHEMBL6641453 0.72 NOS3 (0.48) MEN1KMT2A
SCHEMBL4189350 0.69 ALOX5 (0.47) HRH3SIRT2EPHX2MEN1KMT2A
SCHEMBL6069811 0.68 PARP1 (0.35) BRD4ALOX5
SCHEMBL10503367 0.67 NUDT1 (0.62) HRH3MEN1KMT2AALOX5OR51E2
SCHEMBL24211519 0.66 SIRT2 (0.41) HRH3SIRT2EPHX2MEN1KMT2A
SCHEMBL5851730 0.66 ACHE (0.42) HRH3SIRT2EPHX2MEN1KMT2A

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
US-6391887-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed