SCHEMBL8912807

SCHEMBL8912807

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
EP300 Q09472 8/20 0.36
ROCK2 O75116 1/20 0.36
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.35
DEGS1 O15121 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PORCN Q9H237 1/20 0.35

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
SCHEMBL8912511 0.94 CYP11B1 (0.42) CYP11B1CYP11B2EP300ROCK2KCNH2
SCHEMBL8912989 0.87 CYP11B1 (0.40) CYP11B1CYP11B2EP300KCNH2TSHR
SCHEMBL8912130 0.85 CYP11B1 (0.43) CYP11B1CYP11B2ROCK2MEN1KMT2A
SCHEMBL8911516 0.82 CYP11B1 (0.38) CYP11B1CYP11B2EP300KCNH2TSHR
SCHEMBL8912795 0.79 EPHX2 (0.41) CYP11B1CYP11B2ROCK2MEN1KMT2A
SCHEMBL8911515 0.79 CYP11B1 (0.41) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL8911251 0.79 FFAR1 (0.39) CYP11B1CYP11B2ROCK2MEN1KMT2A
SCHEMBL8912581 0.78 CYP11B1 (0.37) CYP11B1CYP11B2EP300MEN1KMT2A
SCHEMBL8911085 0.77 CYP11B1 (0.37) CYP11B1CYP11B2ROCK2MEN1KMT2A
SCHEMBL8575317 0.74 LIMK1 (0.46) ROCK2MEN1KMT2A

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