SCHEMBL8575317

SCHEMBL8575317

COC(=O)COc1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
IL18 Q14116 1/20 0.45
GAA P10253 1/20 0.45
PSMB5 P28074 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MMP2 P08253 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL8576519 0.86 PSMB5 (0.42) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL8912130 0.84 CYP11B1 (0.43) LIMK1KMT2AMEN1POLBMAPT
SCHEMBL8910422 0.82 RORC (0.41) LIMK1KMT2AMEN1POLBMAPT
SCHEMBL8912795 0.82 EPHX2 (0.41) LIMK1KMT2AMEN1POLBMAPT
SCHEMBL8910427 0.81 HTT (0.40) LIMK1KMT2AMEN1POLBMAPT
SCHEMBL8912006 0.79 CA12 (0.43) LIMK1KMT2AMEN1POLBMAPT
SCHEMBL8912007 0.79 CA12 (0.43) LIMK1KMT2AMEN1POLBMAPT
SCHEMBL2163526 0.78 L3MBTL1 (0.57) KMT2APOLBMAPTKDM4EGAA
SCHEMBL8911515 0.78 CYP11B1 (0.41) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL8911146 0.77 USP2 (0.41) LIMK1KMT2AMEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
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