SCHEMBL8912796

SCHEMBL8912796

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
PSMB5 P28074 1/20 0.35
CYP19A1 P11511 1/20 0.35
RORC P51449 2/20 0.35
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
IDO1 P14902 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
EPHX2 P34913 3/20 0.34

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
SCHEMBL8570032 0.91 ALDH1A1 (0.38) MEN1TP53KMT2AALDH1A1MAPT
SCHEMBL8577375 0.91 ALDH1A1 (0.37) MEN1TP53KMT2AALDH1A1MAPT
SCHEMBL8913188 0.91 PTGER1 (0.37) MEN1KMT2AALDH1A1MAPTCYP11B1
SCHEMBL8913010 0.89 ALDH1A1 (0.36) MEN1TP53KMT2AALDH1A1MAPT
SCHEMBL8912348 0.87 CYP11B1 (0.40) MEN1TP53KMT2AALDH1A1MAPT
SCHEMBL8574886 0.87 ALDH1A1 (0.41) KMT2AALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL8911497 0.81 PSMB5 (0.38) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8911091 0.81 ALDH1A1 (0.40) ALDH1A1MAPTCYP11B1CYP11B2SIRT2
SCHEMBL8911120 0.79 NR1H2 (0.35) ALDH1A1MAPTCYP11B1CYP11B2LMNA
SCHEMBL9136606 0.79 RORC (0.34) MEN1TP53KMT2AALDH1A1MAPT

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