SCHEMBL8912989

SCHEMBL8912989

COC(=O)CCc1ccc(NC(=O)N(CCOS(C)(=O)=O)c2ccc(C#N)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.35
EP300 Q09472 9/20 0.34
KCNH2 Q12809 1/20 0.33
CYP19A1 P11511 1/20 0.33
TSHR P16473 1/20 0.32
FGFR4 P22455 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
SCHEMBL8911516 0.95 CYP11B1 (0.38) CYP11B1CYP11B2SIRT2EP300KCNH2
SCHEMBL8912807 0.87 CYP11B1 (0.44) CYP11B1CYP11B2EP300KCNH2TSHR
SCHEMBL8574886 0.87 ALDH1A1 (0.41) CYP11B1CYP11B2SIRT2
SCHEMBL8912511 0.82 CYP11B1 (0.42) CYP11B1CYP11B2SIRT2EP300KCNH2
SCHEMBL8911497 0.81 PSMB5 (0.38) CYP11B1CYP11B2SIRT2
SCHEMBL8911091 0.81 ALDH1A1 (0.40) CYP11B1CYP11B2SIRT2
SCHEMBL8911120 0.81 NR1H2 (0.35) CYP11B1CYP11B2
SCHEMBL8911137 0.80 GCGR (0.36) CYP11B1CYP11B2EP300CYP19A1
SCHEMBL8576519 0.77 PSMB5 (0.42) SIRT2
SCHEMBL8912796 0.76 MEN1 (0.40) CYP11B1CYP11B2SIRT2CYP19A1

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