SCHEMBL8911516

SCHEMBL8911516

COC(=O)CCc1ccc(N(CCOS(C)(=O)=O)C(=O)Nc2ccc(C#N)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNK O75909 3/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CDK12 Q9NYV4 3/20 0.35
TSHR P16473 1/20 0.34
EP300 Q09472 6/20 0.34
PPARG P37231 1/20 0.33
KCNH2 Q12809 1/20 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
SCHEMBL8912989 0.95 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2TSHREP300
SCHEMBL8912511 0.87 CYP11B1 (0.42) CYP11B1CYP11B2SIRT2MEN1KMT2A
SCHEMBL8574886 0.87 ALDH1A1 (0.41) CYP11B1CYP11B2SIRT2KMT2A
SCHEMBL8911120 0.83 NR1H2 (0.35) CYP11B1CYP11B2
SCHEMBL8911137 0.82 GCGR (0.36) CYP11B1CYP11B2KMT2AEP300
SCHEMBL8912807 0.82 CYP11B1 (0.44) CYP11B1CYP11B2MEN1KMT2ATSHR
SCHEMBL8911497 0.81 PSMB5 (0.38) CYP11B1CYP11B2SIRT2
SCHEMBL8911091 0.81 ALDH1A1 (0.40) CYP11B1CYP11B2SIRT2
SCHEMBL8910536 0.77 MCHR1 (0.38) MEN1KMT2A
SCHEMBL8910234 0.77 ALDH1A1 (0.41) MEN1KMT2ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed