SCHEMBL8912183

SCHEMBL8912183

COC(=O)CCc1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
MCHR1 Q99705 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LIMK1 P53667 1/20 0.39
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
PTGER1 P34995 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL8912348 0.90 CYP11B1 (0.40) KMT2AALDH1A1MEN1MAPTCYP11B1
SCHEMBL8571774 0.89 CYP11B1 (0.39) KMT2AALDH1A1MEN1MAPTMCHR1
SCHEMBL8573514 0.89 CYP11B1 (0.41) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL8913188 0.88 PTGER1 (0.37) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL8910893 0.87 CYP11B1 (0.38) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL8912130 0.84 CYP11B1 (0.43) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL8911515 0.79 CYP11B1 (0.41) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL8912795 0.79 EPHX2 (0.41) KMT2AALDH1A1MEN1MAPTMCHR1
SCHEMBL8912796 0.78 MEN1 (0.40) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL8912581 0.77 CYP11B1 (0.37) KMT2AMEN1MAPTMCHR1CYP11B1

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