SCHEMBL8913010

SCHEMBL8913010

COC(=O)CCc1ccc(N(CCOS(C)(=O)=O)C(=O)Nc2ccc(C#N)cc2)c(SC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
PSMB5 P28074 1/20 0.34
CYP19A1 P11511 1/20 0.34
RORC P51449 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
POLB P06746 3/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 4/20 0.32
ROCK2 O75116 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8912796 0.89 MEN1 (0.40) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8577375 0.88 ALDH1A1 (0.37) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8913188 0.88 PTGER1 (0.37) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8570032 0.88 ALDH1A1 (0.38) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8910893 0.88 CYP11B1 (0.38) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8574886 0.84 ALDH1A1 (0.41) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8911497 0.79 PSMB5 (0.38) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8911091 0.79 ALDH1A1 (0.40) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8912348 0.76 CYP11B1 (0.40) ALDH1A1MAPTCYP11B1CYP11B2PSMB5
SCHEMBL8571774 0.76 CYP11B1 (0.39) ALDH1A1MAPTCYP11B1CYP11B2PSMB5

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