SCHEMBL8911085

SCHEMBL8911085

COC(=O)CCc1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2SC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KMT2A Q03164 7/20 0.36
MCHR1 Q99705 4/20 0.35
MEN1 O00255 5/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
FFAR1 O14842 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GCGR P47871 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ROCK2 O75116 1/20 0.32
LIMK1 P53667 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
SCHEMBL8912581 0.90 CYP11B1 (0.37) CYP11B1CYP11B2KMT2AMCHR1MEN1
SCHEMBL8911251 0.89 FFAR1 (0.39) CYP11B1CYP11B2KMT2AMCHR1MEN1
SCHEMBL8912130 0.83 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AMCHR1MEN1
SCHEMBL8912511 0.79 CYP11B1 (0.42) CYP11B1CYP11B2KMT2AMEN1ROCK2
SCHEMBL8910893 0.79 CYP11B1 (0.38) CYP11B1CYP11B2KMT2AMCHR1MEN1
SCHEMBL8911137 0.78 GCGR (0.36) CYP11B1CYP11B2KMT2AMCHR1NR1H2
SCHEMBL8912795 0.78 EPHX2 (0.41) CYP11B1CYP11B2KMT2AMCHR1MEN1
SCHEMBL8911515 0.78 CYP11B1 (0.41) CYP11B1CYP11B2KMT2AMCHR1MEN1
SCHEMBL8912807 0.77 CYP11B1 (0.44) CYP11B1CYP11B2KMT2AMEN1ROCK2
SCHEMBL8911120 0.77 NR1H2 (0.35) CYP11B1CYP11B2MCHR1NR1H2NR1H3

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